isorhamnetin

Synonyms: "Isorhamnetin", "3-methylquercetin", "isorhamnetol", "3'-methoxyquercetin", "quercetin 3'-methyl ether", "3'-O-methylquercetin", "3'-methoxy-3,4',5,7-tetrahydroxyflavone", "3'-methylquercetin", "isorhamnetine", "3-methylquercetine", "3,4',5,7-tetrahydroxy-3'-methoxyflavone", "3'-O-Methyl Quercetin", "3,5,7,4'-Tetrahydroxy-3'-methoxyflavone".

Source: Isorhamnetin is a flavonoid with many biological activities such as antioxidant, anti-inflammatory, and anticancer, which is also the main active component in total flavones of Elaeagnus rhamnoides

Identifiers:

IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CAS Number: 480-19-3
PubChem ID: 5281654
InChiKey: IZQSVPBOUDKVDZ-UHFFFAOYSA-N
Canonical SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O

Structural Properties:

Molecular Formula: C₁₆H₁₂O₇
Molecular Weight: 316.265

Pharmacophore Features:

Number of bond donors: 4
Number of bond acceptors: 7
Number of atoms different from hydrogen: 23

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Oh SM, Chung KH. 2004 Jan 30. Estrogenic activities of Ginkgo biloba extracts. Life Sci 74(11):1325-1335. DOI: 10.1016/j.lfs.2003.06.045. URL: https://www.sciencedirect.com/science/article/pii/S0024320503010191?via%3Dihub.