F94

7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one

Created:	2012-10-23
Last modified:	2020-06-05

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1 entries where F94 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

2D diagram of F94

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Chemical Component Summary
Name	7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one
Synonyms	7,3-dihydroxyflavone
Systematic Name (OpenEye OEToolkits)	2-(3-hydroxyphenyl)-7-oxidanyl-chromen-4-one
Formula	C₁₅ H₁₀ O₄
Molecular Weight	254.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c3c(OC(=C1)c2cccc(O)c2)cc(O)cc3
SMILES	CACTVS	3.370	Oc1ccc2C(=O)C=C(Oc2c1)c3cccc(O)c3
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O
Canonical SMILES	CACTVS	3.370	Oc1ccc2C(=O)C=C(Oc2c1)c3cccc(O)c3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O
InChI	InChI	1.03	InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H
InChIKey	InChI	1.03	DYARIVMCYYQNNQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL253786
PubChem	5391140
ChEMBL	CHEMBL253786

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.