MW: 302.37
CAS: 500-38-9
TNP NUMBER: TNP00263
MDL NUMBER: MFCD00002206
IUPAC: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
Smiles: C(C(C(Cc1cc(O)c(cc1)O)C)C)c1cc(O)c(cc1)O
Occurs in as the meso-form in in the resinous exudate f the creosote bush, Larrea divarticata, Zygophyllaceae.
THERAPEUTIC CATEGORY: Antineoplastic
ACCEPTORS: 4
DONORS: 4
ROTATION BONDS: 9
N+O: 4
Chiral Centers: 2
LogP: 5.14
LogS: -4.63
LIPINSKI: 4
Synonyms: 1,2-Benzenediol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis-;1,4-bis(3,4-dihydroxyphenyl)-2,3-dimethyl-butan;2,3-Bis(3,4-dihydroxyphenylmethyl)butane;4,4'-(2,3-Dimethyl-1,4-Butanediyl)bis(pyrocatechol);4,4
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