4,4'-dihydroxystilbene

Synonyms: "p,p'-dihydroxystilbene", "4,4'-dioxystilbene", "stilbene-4,4'-diol", "4,4'-dihydroxy stibene", "4,4'-(E)-ethene-1,2-diyldiphenol", "4,4'-stilbenediol"

Source: 4,4'-dihydroxystilbene is a stronger antioxidant.

Identifiers:

IUPAC Name: 4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
CAS Number: 659-22-3
PubChem ID: 5282363
InChiKey: XLAIWHIOIFKLEO-OWOJBTEDSA-N
Canonical SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)O

Structural Properties:

Molecular Formula: C14H12O2
Molecular Weight: 212,2439

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 16

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


Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer