Chemical Components in the PDB

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GEN : Summary

Code

GEN

One-letter code

X

Molecule name

GENISTEIN

Synonyms

5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
4',5,7-TRIHYDROXYISOFLAVONE
PRUNETOL
GENISTEOL

Systematic names

ProgramVersionName
ACDLabs 10.04 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
OpenEye OEToolkits 1.5.0 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

Formula

C15 H10 O5

Formal charge

0

Molecular weight

270.237 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)cc3O
SMILES CACTVS 3.341 Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
Canonical SMILES CACTVS 3.341 Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O

IUPAC InChI

InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H

IUPAC InChI key

TZBJGXHYKVUXJN-UHFFFAOYSA-N
GEN

wwPDB Information

Atom count

30 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-28

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned