15W

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

Created:	2012-10-18
Last modified:	2020-06-05

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1 entries where 15W 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	12

2D diagram of 15W

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Chemical Component Summary
Name	7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
Synonyms	7-hydroxy-4'-methoxyflavone
Systematic Name (OpenEye OEToolkits)	2-(4-methoxyphenyl)-7-oxidanyl-chromen-4-one
Formula	C₁₆ H₁₂ O₄
Molecular Weight	268.264
Type	NON-POLYMER

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

Related Resource References

Resource Name	Reference
Pharos	CHEMBL16751
PubChem	5320693
ChEMBL	CHEMBL16751

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