Chemical Components in the PDB

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15W : Summary

Code

15W

One-letter code

X

Molecule name

7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one

Systematic names

ProgramVersionName
ACDLabs 12.01 7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
OpenEye OEToolkits 1.7.6 2-(4-methoxyphenyl)-7-oxidanyl-chromen-4-one

Formula

C16 H12 O4

Formal charge

0

Molecular weight

268.264 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1c3c(OC(=C1)c2ccc(OC)cc2)cc(O)cc3
SMILES CACTVS 3.370 COc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2
SMILES OpenEye OEToolkits 1.7.6 COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O
Canonical SMILES CACTVS 3.370 COc1ccc(cc1)C2=CC(=O)c3ccc(O)cc3O2
Canonical SMILES OpenEye OEToolkits 1.7.6 COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O

IUPAC InChI

InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3

IUPAC InChI key

SQVXWIUVAILQRH-UHFFFAOYSA-N
15W

wwPDB Information

Atom count

32 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-10-18

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned