isoeugenol

Synonyms: "Isoeugenol", "trans-isoeugenol", "2-methoxy-4-propenylphenol", "4-propenylguaiacol", "2-methoxy-4-(prop-1-en-1-yl)phenol", "4-hydroxy-3-methoxy-1-propenylbenzene", "trans-p-propenylquaiacol", "4-hydroxy-3-methoxypropenylbenzene", "1-hydroxy-2-methoxy-4-propenylbenzene", "trans-2-methoxy-4-propenylphenol", "2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol", "isoeugenol (I)", "(E)-2-methoxy-4-(prop-1-enyl)phenol".

Source: Isoeugenol is used as a sweetener, natural antioxidant, and storage agent in food and pharmaceutical processes.

Identifiers:

IUPAC Name: 2-methoxy-4-[(E)-prop-1-enyl]phenol
CAS Number: 97-54-1
PubChem ID: 853433
InChiKey: BJIOGJUNALELMI-ONEGZZNKSA-N
Canonical SMILES: CC=CC1=CC(=C(C=C1)O)OC

Structural Properties:

Molecular Formula: C₁₀H₁₂O₂
Molecular Weight: 164.204

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 12

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3D structure (.sdf)
3D structure (.mol2)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Fang H, Tong WD, Branham WS, Moland CL, Dial SL, Hong HX, Xie Q, Perkins R, Owens W, Sheehan DM. 2003. Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor. Chem Res Toxicol 16(10):1338-1358. DOI: 10.1021/tx030011g. URL: http://pubs.acs.org/doi/abs/10.1021/tx030011g.