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: 268.309

Pharmacophore Features:

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

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