CHEBI:62417 - arabidiol

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ChEBI Name arabidiol ChEBI ID CHEBI:62417 Definition A tricyclic triterpenoid that is perhydro-1H-cyclopenta[a]naphthalene that is substituted bu methyl groups at positions 3a, 6, 6, and 9a, by a hydroxy group at position 7, and by a (2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl group at position 3 (the 3R,3aR,5aR,7S,9aR,9bR-isomer). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H52O2 Net Charge 0 Average Mass 444.73270 Monoisotopic Mass 444.39673 InChI InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)13-10-18-30(8,32)25-15-14-24-28(6)20-17-26(31)27(4,5)23(28)16-19-29(24,25)7/h11,13,23-26,31-32H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,24+,25+,26-,28-,29+,30+/m0/s1 InChIKey KCSCTOANDBOIGV-ZFAZNOKVSA-N SMILES [H][C@]1(CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C)[C@](C)(O)CC\C=C(/C)CCC=C(C)C ChEBI Ontology Outgoing arabidiol (CHEBI:62417) is a secondary alcohol (CHEBI:35681) arabidiol (CHEBI:62417) is a tertiary alcohol (CHEBI:26878) arabidiol (CHEBI:62417) is a tricyclic triterpenoid (CHEBI:52340) IUPAC Name (3R,3aR,5aR,7S,9aR,9bR)-3-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-3a,6,6,9a-tetramethyldodecahydro-1H-cyclopenta[a]naphthalen-7-ol Synonyms Sources (13R)-malabarica-17,21-diene-3β,14-diol IUBMB arabidiol UniProt Registry Number Type Source 11037015 Reaxys Registry Number Reaxys Citations Types Sources 16774269 PubMed citation Europe PMC 17474751 PubMed citation Europe PMC Last Modified 23 October 2012