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A1LWB

Summary
Name: 4-farnesyl-3,5-dihydroxy-6-methylphthalide
Synonyms:4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one
Formula:C24 H32 O4
Formal charge:0
Formula weight:384.508 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(25)18(5)20-14-28-24(27)21(20)23(19)26/h8,10,12,25-26H,6-7,9,11,13-14H2,1-5H3
InChIKeyInChI1.06HKULYCOWDDIJCV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)c(C)c2COC(=O)c2c1O
SMILESCACTVS3.385CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(C)c2COC(=O)c2c1O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c2c(c(c(c1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C(=O)OC2
SMILESOpenEye OEToolkits2.0.7Cc1c2c(c(c(c1O)CC=C(C)CCC=C(C)CCC=C(C)C)O)C(=O)OC2

224201

PDB entries from 2024-08-28

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