J8D

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one

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

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1 entries where J8D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	12

2D diagram of J8D

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Chemical Component Summary
Name	5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Synonyms	diosmetin
Systematic Name (OpenEye OEToolkits)	2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
Formula	C₁₆ H₁₂ O₆
Molecular Weight	300.263
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1c(O)cc(cc1)C=3Oc2cc(O)cc(c2C(C=3)=O)O
SMILES	CACTVS	3.385	COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O)cc3O2
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O)cc3O2
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O
InChI	InChI	1.03	InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
InChIKey	InChI	1.03	MBNGWHIJMBWFHU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB11259
Name	Diosmetin
Groups	experimental
Description	Diosmetin is an O-methylated flavone and the aglycone part of the flavonoid glycosides diosmin that occurs naturally in citrus fruits [A27231]. Pharmacologically, diosmetin is reported to exhibit anticancer, antimicrobial, antioxidant, oestrogenic and anti-inflamatory activities [A27231]. It also acts as a weak TrkB receptor agonist [A27230].
Synonyms	Salinigricoflavonol 3',5,7-trihydroxy-4'-methoxyflavone 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone Luteolin 4'-methyl ether Diosmetin
Brand Names	Gongjinhyang Seol Whitening Essence Isaknox X202 Whitening Secret Essence Gingjinhyang Seol Whitening Gongjinhyang Seol Whitening Isa Knox Wxii Plus Whitening Revolution Serum Whoo Gongjinhyang Seol Whitening Jin Essence
Categories	Benzopyrans Chromones Heterocyclic Compounds, Fused-Ring Pyrans
CAS number	520-34-3

Related Resource References

Resource Name	Reference
Pharos	CHEMBL90568
PubChem	5281612
ChEMBL	CHEMBL90568
ChEBI	CHEBI:4630

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.