chrysin

Synonyms: "5,7-dihydroxyflavone", "chrysine", "5,7-dihydroxy-2-phenylchromen-4-one", "5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one"

Source: chrysin is a flavonoid that occurs naturally in plants such as the passionflower, silver linden, and some geranium species; and in honey and bee propolis (glue).

Identifiers:

IUPAC Name: 5,7-dihydroxy-2-phenylchromen-4-one
CAS Number: 480-40-0
PubChem ID: 5281607
InChiKey: RTIXKCRFFJGDFG-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

Structural Properties:

Molecular Formula: C15H10O4
Molecular Weight: 254,2375

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 19

Downloads

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

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CTD (Comparative Toxicogenomics Database)

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


Oberd÷rster 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.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer