Chemical Components in the PDB

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57D : Summary

Code

57D

One-letter code

X

Molecule name

chrysin

Synonyms

5,7-dihydroxy-2-phenyl-4H-chromen-4-one

Systematic names

ProgramVersionName
ACDLabs 10.04 5,7-dihydroxy-2-phenyl-4H-chromen-4-one
OpenEye OEToolkits 1.5.0 5,7-dihydroxy-2-phenyl-chromen-4-one

Formula

C15 H10 O4

Formal charge

0

Molecular weight

254.237 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c3c(OC(=C1)c2ccccc2)cc(O)cc3O
SMILES CACTVS 3.341 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O
Canonical SMILES CACTVS 3.341 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O

IUPAC InChI

InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H

IUPAC InChI key

RTIXKCRFFJGDFG-UHFFFAOYSA-N
57D

wwPDB Information

Atom count

29 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-09-01

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned