57D

chrysin

Created:	2008-09-01
Last modified:	2020-06-05

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3 entries where 57D 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 57D

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Chemical Component Summary
Name	chrysin
Synonyms	5,7-dihydroxy-2-phenyl-4H-chromen-4-one
Systematic Name (OpenEye OEToolkits)	5,7-dihydroxy-2-phenyl-chromen-4-one
Formula	C₁₅ H₁₀ O₄
Molecular Weight	254.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1c3c(OC(=C1)c2ccccc2)cc(O)cc3O
SMILES	CACTVS	3.341	Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O
Canonical SMILES	CACTVS	3.341	Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O
InChI	InChI	1.03	InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
InChIKey	InChI	1.03	RTIXKCRFFJGDFG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB15581
Name	Chrysin
Groups	experimental
Synonyms	5,7-dihydroxyflavone Chrysin Galangin flavanone
Categories	Benzopyrans Chromones Heterocyclic Compounds, Fused-Ring Pyrans
CAS number	480-40-0

Related Resource References

Resource Name	Reference
Pharos	CHEMBL117
PubChem	5281607
ChEMBL	CHEMBL117
ChEBI	CHEBI:75095
CCDC/CSD	EJEQOB, JICKIS, EJEQAN, GOPZET, GUKSEN, IYIWIY, IYIWEU, OQIWIX, KEQREH, KEQRAD

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