quercetin

Synonyms: "sophoretin", "meletin", "xanthaurine", "quercetine", "quercetol", "quercitin", "quertine", "flavin meletin"

Source: quercetin is a flavonoid widely distributed in nature.

Identifiers:

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CAS Number: 117-39-5
PubChem ID: 5280343
InChiKey: REFJWTPEDVJJIY-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O

Structural Properties:

Molecular Formula: C15H10O7
Molecular Weight: 302,2357

Pharmacophore Features:

Number of bond donors: 5
Number of bond acceptors: 7
Number of atoms different from hydrogen: 22

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

GENE-TOX

CTD (Comparative Toxicogenomics Database)

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


Kuiper GGJM, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg P, Gustafsson JA. 1998. Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology 139(10):4252-4263. Kuiper GGJM, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg P, Gustafsson JA. 1998. Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology 139(10):4252-4263. Oberdörster E, Clay MA, Cottam DM, Wilmot FA, McLachlan JA, Milner MJ. 2001. Common phytochemicals are ecdysteroid agonists and antagonists: a possible evolutionary link between vertebrate and invertebrate steroid hormones. J Steroid Biochem Mol Biol 77(4-5):229-238, DOI: 10.1016/S0960-0760(01)00067-X.Oberdörster E, Clay MA, Cottam DM, Wilmot FA, McLachlan JA, Milner MJ. 2001. Common phytochemicals are ecdysteroid agonists and antagonists: a possible evolutionary link between vertebrate and invertebrate steroid hormones. J Steroid Biochem Mol Biol 77(4-5):229-238, DOI: 10.1016/S0960-0760(01)00067-X.

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