6-prenylnaringenin

Synonyms: "5,7,4'-trihydroxy-6-prenylflavanone", "(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one"

Source: 6-prenylnaringenin is a structural derivative of naringenin, which is a predominant flavonoid in grapefruit.

Identifiers:

IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CAS Number: 68236-13-5
PubChem ID: 155094
InChiKey: YHWNASRGLKJRJJ-KRWDZBQOSA-N
Canonical SMILES: CC(=CCC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)O)C

Structural Properties:

Molecular Formula: C20H20O5
Molecular Weight: 340,3698

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 5
Number of atoms different from hydrogen: 25

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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

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


Coldham NG, Sauer MJ. 2001. Identification, quantitation and biological activity of phytoestrogens in a dietary supplement for breast enhancement. Food & Chemical Toxicology 39(12):1211-1224.

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Keywords


2D-structure

3D-structure

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