glabridin

Synonyms: "4-(3,4-Dihydro-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-3-yl)-1,3-benzenediol"

Source: glabridin is a chemical compound that is found in the root extract of licorice (Glycyrrhiza glabra). Glabridin is an isoflavane.

Identifiers:

IUPAC Name: 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
CAS Number: 59870-68-7
PubChem ID: 124052
InChiKey: LBQIJVLKGVZRIW-ZDUSSCGKSA-N
Canonical SMILES: CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)O)O)C

Structural Properties:

Molecular Formula: C20H20O4
Molecular Weight: 324,3704

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 24

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


Tamir S, Eizenberg M, Somjen D, Stern N, Shelach R, Kaye A, Vaya J. 2000. Estrogenic and antiproliferative properties of glabridin from licorice in human breast cancer cells. Cancer Res 60(20):5704-5709.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer