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UE6
UE6
Name:N-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethyl}-2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]acetamide
Formula:C34 H47 F N8 O7
SMILES:NCc1cn(nn1)CCNC(=O)CC1C=CC(=O)NCC=CC(C)=CC(O)CC(F)Cc2nc(co2)C(=O)N2CCCC2C(=O)OC1C(C)C
InChi:InChI=1S/C34H47FN8O7/c1-21(2)32-23(15-30(46)38-11-13-42-19-25(18-36)40-41-42)8-9-29(45)37-10-4-6-22(3)14-26(44)16-24(35)17-31-39-27(20-49-31)33(47)43-12-5-7-28(43)34(48)50-32/h4,6,8-9,14,19-21,23-24,26,28,32,44H,5,7,10-13,15-18,36H2,1-3H3,(H,37,45)(H,38,46)/b6-4+,9-8+,22-14+/t23-,24+,26+,28+,32+/m0/s1
Definition date:2022-08-17
Last modified:2023-06-23
Release date:2023-06-28
Identifier:N-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethyl}-2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]acetamide
UEC
UEC
Name:2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide
Formula:C38 H47 F N8 O7
SMILES:CC(C)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC(=O)NCCn1cc(nn1)c1ccncc1
InChi:InChI=1S/C38H47FN8O7/c1-24(2)36-27(19-34(50)42-15-17-46-22-30(44-45-46)26-10-13-40-14-11-26)8-9-33(49)41-12-4-6-25(3)18-29(48)20-28(39)21-35-43-31(23-53-35)37(51)47-16-5-7-32(47)38(52)54-36/h4,6,8-11,13-14,18,22-24,27-29,32,36,48H,5,7,12,15-17,19-21H2,1-3H3,(H,41,49)(H,42,50)/b6-4+,9-8+,25-18+/t27-,28+,29+,32+,36+/m0/s1
Definition date:2022-08-17
Last modified:2023-06-23
Release date:2023-06-28
Identifier:2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide
UI0
UI0
Name:(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
Formula:C40 H46 F N5 O8
SMILES:CC(COC(=O)Nc1cc2ccccc2cn1)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC=C
InChi:InChI=1S/C40H46FN5O8/c1-4-9-27-14-15-35(48)42-16-7-10-25(2)18-31(47)20-30(41)21-36-44-32(24-52-36)38(49)46-17-8-13-33(46)39(50)54-37(27)26(3)23-53-40(51)45-34-19-28-11-5-6-12-29(28)22-43-34/h4-7,10-12,14-15,18-19,22,24,26-27,30-31,33,37,47H,1,8-9,13,16-17,20-21,23H2,2-3H3,(H,42,48)(H,43,45,51)/b10-7+,15-14+,25-18+/t26-,27-,30-,31-,33-,37-/m1/s1
Definition date:2022-08-18
Last modified:2023-06-23
Release date:2023-06-28
Identifier:(2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
VSR
VSR
Name:[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4-[6-[4-[(E)-phenyldiazenyl]phenyl]hexanoyloxy]-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
Formula:C48 H62 N2 O12
SMILES:CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCCCCc4ccc(cc4)N=Nc5ccccc5)C
InChi:InChI=1S/C48H62N2O12/c1-8-10-11-12-18-24-38(53)59-42-40-39(31(4)41(42)60-44(54)30(3)9-2)43-48(57,47(7,56)45(55)61-43)36(29-46(40,6)62-32(5)51)58-37(52)23-19-13-15-20-33-25-27-35(28-26-33)50-49-34-21-16-14-17-22-34/h9,14,16-17,21-22,25-28,36,40-43,56-57H,8,10-13,15,18-20,23-24,29H2,1-7H3/b30-9-,50-49+/t36-,40+,41-,42-,43-,46-,47+,48+/m0/s1
Synonyms:photoswitch-thapsigargin derivative AzTG-6
Definition date:2023-03-31
Last modified:2023-06-16
Release date:2023-06-21
Identifier:[(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{Z})-2-methylbut-2-enoyl]oxy-3,3~{a}-bis(oxidanyl)-2-oxidanylidene-4-[6-[4-[(~{E})-phenyldiazenyl]phenyl]hexanoyloxy]-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
VUK
VUK
Name:[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4-[4-[4-[(E)-phenyldiazenyl]phenyl]butanoyloxy]-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
Formula:C46 H58 N2 O12
SMILES:CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCCc4ccc(cc4)N=Nc5ccccc5)C
InChi:InChI=1S/C46H58N2O12/c1-8-10-11-12-16-21-36(51)57-40-38-37(29(4)39(40)58-42(52)28(3)9-2)41-46(55,45(7,54)43(53)59-41)34(27-44(38,6)60-30(5)49)56-35(50)22-17-18-31-23-25-33(26-24-31)48-47-32-19-14-13-15-20-32/h9,13-15,19-20,23-26,34,38-41,54-55H,8,10-12,16-18,21-22,27H2,1-7H3/b28-9-,48-47+/t34-,38+,39-,40-,41-,44-,45+,46+/m0/s1
Synonyms:photoswitch-thapsigargin derivative AzTG-4
Definition date:2023-04-05
Last modified:2023-06-16
Release date:2023-06-21
Identifier:[(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{Z})-2-methylbut-2-enoyl]oxy-3,3~{a}-bis(oxidanyl)-2-oxidanylidene-4-[4-[4-[(~{E})-phenyldiazenyl]phenyl]butanoyloxy]-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
O1L
O1L
Name:1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]pyridin-2(1H)-one
Formula:C21 H17 Cl2 N O2
SMILES:Clc1ccc(CN2C=CC(O)=C(C/C=C/c3ccccc3)C2=O)c(Cl)c1
InChi:InChI=1S/C21H17Cl2NO2/c22-17-10-9-16(19(23)13-17)14-24-12-11-20(25)18(21(24)26)8-4-7-15-5-2-1-3-6-15/h1-7,9-13,25H,8,14H2/b7-4+
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]pyridin-2(1H)-one
WDE
WDE
Name:3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid
Formula:C18 H16 N2 O3 S
SMILES:O=C(O)CCSC(Nc1ccccc1)=C1/c2ccccc2NC1=O
InChi:InChI=1S/C18H16N2O3S/c21-15(22)10-11-24-18(19-12-6-2-1-3-7-12)16-13-8-4-5-9-14(13)20-17(16)23/h1-9,19H,10-11H2,(H,20,23)(H,21,22)/b18-16+
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid
KTI
KTI
Name:(E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide
Formula:C16 H14 Cl2 N2 O4 S
SMILES:COc1ccc(NC(=O)C=C(Cl)[S](=O)(=O)Cc2ccccc2Cl)nc1
InChi:InChI=1S/C16H14Cl2N2O4S/c1-24-12-6-7-15(19-9-12)20-16(21)8-14(18)25(22,23)10-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3,(H,19,20,21)/b14-8-
Synonyms:(E)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfonyl]-N-(6-methoxypyridin-2-yl)prop-2-enamide (reacted form of)
Definition date:2022-06-07
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(~{E})-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-~{N}-(5-methoxypyridin-2-yl)prop-2-enamide
LWL
LWL
Name:N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
Formula:C11 H17 N4 O
SMILES:C[N+](C)(C)CC(=O)NN=Cc1ccccn1
InChi:InChI=1S/C11H16N4O/c1-15(2,3)9-11(16)14-13-8-10-6-4-5-7-12-10/h4-8H,9H2,1-3H3/p+1
Synonyms:~{N}-[(~{E})-pyridin-2-ylmethylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide
Definition date:2022-07-15
Last modified:2023-06-09
Release date:2023-06-14
Identifier:trimethyl-[2-oxidanylidene-2-[(2~{E})-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium
IKQ
IKQ
Name:(6R)-4-hydroxy-6-{(E)-2-[(1R,2S)-2-phenylcyclohexyl]ethenyl}-5,6-dihydro-2H-pyran-2-one
Formula:C19 H22 O3
SMILES:O=C1C=C(O)CC(/C=C/C2CCCCC2c2ccccc2)O1
InChi:InChI=1S/C19H22O3/c20-16-12-17(22-19(21)13-16)11-10-15-8-4-5-9-18(15)14-6-2-1-3-7-14/h1-3,6-7,10-11,13,15,17-18,20H,4-5,8-9,12H2/b11-10+/t15-,17+,18-/m1/s1
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(6R)-4-hydroxy-6-{(E)-2-[(1R,2S)-2-phenylcyclohexyl]ethenyl}-5,6-dihydro-2H-pyran-2-one
IZ7
IZ7
Name:(4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid
Formula:C18 H23 N O4
SMILES:O=C(O)CCC(C)=CCc1c(OC)c(C)c(C)c2onc(C)c12
InChi:InChI=1S/C18H23NO4/c1-10(7-9-15(20)21)6-8-14-16-13(4)19-23-18(16)12(3)11(2)17(14)22-5/h6H,7-9H2,1-5H3,(H,20,21)/b10-6+
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid
GQI
GQI
Name:(2R)-2-azanyl-3-[(E)-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid
Formula:C5 H8 N2 O5 S
SMILES:N[CH](CSON=CC(O)=O)C(O)=O
InChi:InChI=1S/C5H8N2O5S/c6-3(5(10)11)2-13-12-7-1-4(8)9/h1,3H,2,6H2,(H,8,9)(H,10,11)/b7-1+/t3-/m0/s1
Definition date:2022-05-17
Last modified:2023-05-26
Release date:2023-05-31
Identifier:(2~{R})-2-azanyl-3-[(~{E})-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid
I55
I55
Name:[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(2-azanylethanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate
Formula:C15 H25 N7 O8
SMILES:NCC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1N=C2N[CH]3[CH](O)CNC(=O)[CH]3N2
InChi:InChI=1S/C15H25N7O8/c16-1-6(25)19-9-10(26)11(30-14(17)28)5(3-23)29-13(9)22-15-20-7-4(24)2-18-12(27)8(7)21-15/h4-5,7-11,13,23-24,26H,1-3,16H2,(H2,17,28)(H,18,27)(H,19,25)(H2,20,21,22)/t4-,5-,7-,8+,9-,10+,11+,13-/m1/s1
Definition date:2022-06-09
Last modified:2023-05-26
Release date:2023-05-31
Identifier:[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(2-azanylethanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate
I60
I60
Name:[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(4-azanylbutanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate
Formula:C17 H29 N7 O8
SMILES:NCCCC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1N=C2N[CH]3[CH](O)CNC(=O)[CH]3N2
InChi:InChI=1S/C17H29N7O8/c18-3-1-2-8(27)21-11-12(28)13(32-16(19)30)7(5-25)31-15(11)24-17-22-9-6(26)4-20-14(29)10(9)23-17/h6-7,9-13,15,25-26,28H,1-5,18H2,(H2,19,30)(H,20,29)(H,21,27)(H2,22,23,24)/t6-,7-,9-,10+,11-,12+,13+,15-/m1/s1
Definition date:2022-06-10
Last modified:2023-05-26
Release date:2023-05-31
Identifier:[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(4-azanylbutanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate
P5O
P5O
Name:5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol
Formula:C15 H14 O4
SMILES:COc1cc(ccc1O)C=Cc2cc(O)cc(O)c2
InChi:InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
Definition date:2023-03-03
Last modified:2023-05-19
Release date:2023-05-24
Identifier:5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol
K8U
K8U
Name:[(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate
Formula:C83 H150 O17 P2
SMILES:CCCCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h22-23,26-27,34-35,37,40,42,45,52,56,77-79,84H,5-21,24-25,28-33,36,38-39,41,43-44,46-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b26-22+,27-23-,37-34-,40-35+,45-42+,56-52+/t77-,78+,79+/m1/s1
Definition date:2022-09-12
Last modified:2023-05-19
Release date:2023-05-24
Identifier:[(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate
Y4Q
Y4Q
Name:6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazinyl}pyrimidin-4(5H)-one
Formula:C14 H15 N5 O3
SMILES:CC1=NC(NNC=CCc2ccccc2N(=O)=O)=NC(=O)C1
InChi:InChI=1S/C14H15N5O3/c1-10-9-13(20)17-14(16-10)18-15-8-4-6-11-5-2-3-7-12(11)19(21)22/h2-5,7-8,15H,6,9H2,1H3,(H,17,18,20)/b8-4+
Definition date:2023-01-04
Last modified:2023-05-19
Release date:2023-05-24
Identifier:6-methyl-2-{2-[(1E)-3-(2-nitrophenyl)prop-1-en-1-yl]hydrazinyl}pyrimidin-4(5H)-one
SWR
SWR
Name:N'-(4-chlorophenyl)-N-[(4R)-3-(4-chlorophenyl)-5,5-dimethyl-1-(2-{(2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinyl}-2-oxoethyl)-2-oxoimidazolidin-4-yl]-N-hydroxyurea
Formula:C27 H26 Cl2 N7 O7
SMILES:O=N(=O)c1ccc(/C=C/C=N/NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)C(N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)o1
InChi:InChI=1S/C27H25Cl2N7O7/c1-27(2)24(35(40)25(38)31-19-9-5-17(28)6-10-19)34(20-11-7-18(29)8-12-20)26(39)33(27)16-22(37)32-30-15-3-4-21-13-14-23(43-21)36(41)42/h3-15,24,40-41H,16H2,1-2H3,(H-,31,32,37,38)/q-1/p+1/b4-3+,30-15+/t24-/m1/s1
Synonyms:Eeyarestatin I
Definition date:2022-07-13
Last modified:2023-05-19
Release date:2023-05-24
Identifier:N'-(4-chlorophenyl)-N-[(4R)-3-(4-chlorophenyl)-5,5-dimethyl-1-(2-{(2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinyl}-2-oxoethyl)-2-oxoimidazolidin-4-yl]-N-hydroxyurea
SXF
SXF
Name:[(1~{S},3~{R},4~{S},5~{R},6~{R},8~{R},10~{S},23~{R},24~{R},25~{R},26~{R})-5-acetyloxy-6-methyl-4,26-bis(oxidanyl)-17,20-bis(oxidanylidene)-10-pentyl-24-[(~{E})-3-phenylprop-2-enoyl]oxy-2,7,9,21,27-pentaoxatricyclo[21.3.1.0^{3,8}]heptacosan-25-yl] (~{E})-2-methylbut-2-enoate
Formula:C44 H62 O15
SMILES:CC=C(/C)C(=O)OC1C(OC(=O)/C=C/c2ccccc2)C2COC(=O)CCC(=O)CCCCCCC(CCCCC)OC3OC(C)C(OC(C)=O)C(O)C3OC(O2)C1O
InChi:InChI=1S/C44H62O15/c1-6-8-12-20-32-21-16-10-9-15-19-31(46)23-25-34(47)52-26-33-39(57-35(48)24-22-30-17-13-11-14-18-30)40(58-42(51)27(3)7-2)37(50)43(56-33)59-41-36(49)38(54-29(5)45)28(4)53-44(41)55-32/h7,11,13-14,17-18,22,24,28,32-33,36-41,43-44,49-50H,6,8-10,12,15-16,19-21,23,25-26H2,1-5H3/b24-22+,27-7+/t28-,32+,33-,36+,37-,38+,39-,40-,41-,43+,44+/m1/s1
Synonyms:Ipomoeassin F
Definition date:2022-07-13
Last modified:2023-05-19
Release date:2023-05-24
Identifier:(1S,3R,4S,5R,6R,8R,10S,23R,24R,25R,26R)-5-(acetyloxy)-4,26-dihydroxy-6-methyl-17,20-dioxo-10-pentyl-24-{[(2E)-3-phenylprop-2-enoyl]oxy}-2,7,9,21,27-pentaoxatricyclo[21.3.1.0~3,8~]heptacosan-25-yl (2E)-2-methylbut-2-enoate (non-preferred name)
I2R
I2R
Name:(E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid
Formula:C18 H12 N2 O2
SMILES:OC(=O)C(=Cc1cn(c2ccccc2)c3ccccc13)C#N
InChi:InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+
Synonyms:UK-5099
Definition date:2022-06-02
Last modified:2023-05-19
Release date:2023-05-24
Identifier:(~{E})-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid
ZY8
ZY8
Name:(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol
Formula:C26 H25 N O4
SMILES:OC12Cc3c(oc4ccccc43)C3Oc4c(O)ccc5CC1N(CC1CC1)CCC32c54
InChi:InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
Definition date:2023-04-17
Last modified:2023-05-12
Release date:2023-05-17
Identifier:(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol
Q3V
Q3V
Name:N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine
Formula:C15 H21 N5 O5
SMILES:C/C(CO)=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O
InChi:InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1
Definition date:2022-06-01
Last modified:2023-05-12
Release date:2023-05-17
Identifier:N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine
JSI
JSI
Name:[(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid
Formula:C14 H11 Br N3 O4 P S
SMILES:O[P](O)(=O)C=Cc1cc(Br)ccc1Sc2c[nH]c3C(=O)NC=Nc23
InChi:InChI=1S/C14H11BrN3O4PS/c15-9-1-2-10(8(5-9)3-4-23(20,21)22)24-11-6-16-13-12(11)17-7-18-14(13)19/h1-7,16H,(H,17,18,19)(H2,20,21,22)/b4-3+
Definition date:2022-05-09
Last modified:2023-05-12
Release date:2023-05-17
Identifier:[(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid
JT3
JT3
Name:[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-6-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid
Formula:C20 H11 F5 N3 O5 P S
SMILES:O[P](O)(=O)C=Cc1c(Oc2c(F)c(F)c(F)c(F)c2F)cccc1Sc3c[nH]c4C(=O)NC=Nc34
InChi:InChI=1S/C20H11F5N3O5PS/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-2-1-3-10(8(9)4-5-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29/h1-7,26H,(H,27,28,29)(H2,30,31,32)/b5-4+
Definition date:2022-05-09
Last modified:2023-05-12
Release date:2023-05-17
Identifier:[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-6-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid
JTC
JTC
Name:[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-5-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid
Formula:C20 H11 F5 N3 O5 P S
SMILES:O[P](O)(=O)C=Cc1cc(Oc2c(F)c(F)c(F)c(F)c2F)ccc1Sc3c[nH]c4C(=O)NC=Nc34
InChi:InChI=1S/C20H11F5N3O5PS/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-1-2-10(8(5-9)3-4-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29/h1-7,26H,(H,27,28,29)(H2,30,31,32)/b4-3+
Definition date:2022-05-09
Last modified:2023-05-12
Release date:2023-05-17
Identifier:[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-5-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid

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