J8G

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one

Created:	2018-08-22
Last modified:	2021-03-01

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1 entries where J8G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

2D diagram of J8G

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Chemical Component Summary
Name	2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
Synonyms	rhamnetin
Systematic Name (OpenEye OEToolkits)	2-[3,4-bis(oxidanyl)phenyl]-7-methoxy-3,5-bis(oxidanyl)chromen-4-one
Formula	C₁₆ H₁₂ O₇
Molecular Weight	316.262
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3c(c2C(C(=C(c1cc(c(O)cc1)O)Oc2cc3OC)O)=O)O
SMILES	CACTVS	3.385	COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
SMILES	OpenEye OEToolkits	2.0.6	COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O
Canonical SMILES	CACTVS	3.385	COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O
InChI	InChI	1.03	InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
InChIKey	InChI	1.03	JGUZGNYPMHHYRK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB16772
Name	Rhamnetin
Groups	experimental
Synonyms	Rhamnetin beta-Rhamnocitrin 7-Methylquercetin 7-O-Methylquercetin Quercetin 7-methyl ether 7-Methoxyquercetin
Categories	Benzopyrans Chromones Flavonoids Flavonols Heterocyclic Compounds, Fused-Ring Pyrans
CAS number	90-19-7

Related Resource References

Resource Name	Reference
PubChem	5281691
ChEMBL	CHEMBL312163
ChEBI	CHEBI:74992

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.