HMO

4'-HYDROXY-7-METHOXYISOFLAVONE

Created:	2000-10-10
Last modified:	2020-06-05

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1 entries where HMO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	18

2D diagram of HMO

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Chemical Component Summary
Name	4'-HYDROXY-7-METHOXYISOFLAVONE
Synonyms	ISOFORMONONETIN
Systematic Name (OpenEye OEToolkits)	3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
Formula	C₁₆ H₁₂ O₄
Molecular Weight	268.264
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	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
InChIKey	InChI	1.03	LNIQZRIHAMVRJA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04202
Name	Isoformononetin
Groups	experimental
Synonyms	Isoformononetin
Categories	Benzopyrans Chromones Flavonoids Heterocyclic Compounds, Fused-Ring Pyrans

Related Resource References

Resource Name	Reference
PubChem	3764
ChEMBL	CHEMBL453280
ChEBI	CHEBI:29608
CCDC/CSD	HAYBUF

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