2-hydroxybenzo(a)pyrene

Synonyms: "2-hydroxybenzo[a]pyrene", "benzo[a]pyren-2-ol", "benzo(a)pyren-2-ol"

Source: 2-hydroxybenzo(a)pyrene is a phenolic derivative of polycyclic aromatic hydrocarbons and a strong carcinogen.

Identifiers:

IUPAC Name: benzo[a]pyren-2-ol
CAS Number: 56892-30-9
PubChem ID: 42027
InChiKey: KAXJMEFTXJWMLE-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC(=CC(=C54)C=C3)O

Structural Properties:

Molecular Formula: C20H12O
Molecular Weight: 268,3087

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 21

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

GENE-TOX

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


Nishihara T, Nishikawa J, Kanayama T, Dakeyama F, Saito K, Imagawa M, Takatori S, Kitagawa Y, Hori S, Utsumi H. 2000. Estrogenic activities of 517 chemicals by yeast two-hybrid assay. Journal of Health Science 46(4):282-298.

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