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CHEBI:62417 - arabidiol

ChEBI IDCHEBI:62417
ChEBI Namearabidiol
Stars
DefinitionA 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).
Last Modified23 October 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H52O2
Net Charge0
Average Mass444.744
Monoisotopic Mass444.39673
SMILES[H][C@]12CC[C@@]([H])([C@](C)(O)CC/C=C(\C)CCC=C(C)C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=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
InChIKeyKCSCTOANDBOIGV-ZFAZNOKVSA-N
ChEBI Ontology
Outgoing Relation(s)
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
Synonym  Source
(13R)-malabarica-17,21-diene-3β,14-diolIUBMB
UniProt Name  Source
arabidiolUniProt
Registry NumbersSources
Reaxys:11037015Reaxys
Citations