Chemical Components in the PDB

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HMO : Summary

Code

HMO

One-letter code

X

Molecule name

4'-HYDROXY-7-METHOXYISOFLAVONE

Synonyms

ISOFORMONONETIN

Systematic names

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

Formula

C16 H12 O4

Formal charge

0

Molecular weight

268.264 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c3c(OC=C1c2ccc(O)cc2)cc(OC)cc3
SMILES CACTVS 3.341 COc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3
SMILES OpenEye OEToolkits 1.5.0 COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O
Canonical SMILES CACTVS 3.341 COc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3
Canonical SMILES OpenEye OEToolkits 1.5.0 COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O

IUPAC InChI

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

IUPAC InChI key

LNIQZRIHAMVRJA-UHFFFAOYSA-N
HMO

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

2000-10-10

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned