Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

MYF

概要
表記:5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
別名:2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE
PENTAHYDROXYFLAVONE
組成式:C15 H10 O7
電荷:0
化学式量:302.236 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.045,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
OpenEye OEToolkits1.5.05,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04O=C1c3c(OC(=C1)c2cc(O)c(O)c(O)c2)cc(O)cc3O
SMILES_CANONICALCACTVS3.341Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cc(O)c(O)c(O)c3
SMILESCACTVS3.341Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cc(O)c(O)c(O)c3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O
SMILESOpenEye OEToolkits1.5.0c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O
InChIInChI1.03InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
InChIKeyInChI1.03ARSRJFRKVXALTF-UHFFFAOYSA-N

222624

件を2024-07-17に公開中

PDB statisticsPDBj update infoContact PDBjnumon