CHEBI:138041 - (+)-4-epi-cubebol

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ChEBI Name (+)-4-epi-cubebol ChEBI ID CHEBI:138041 ChEBI ASCII Name (+)-4-epi-cubebol Definition A sesquiterpenoid consisting of octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol carrying two additional methyl substituents at positions 3 and 7 as well as an isopropyl substituent at position 4 (the 3S,3aS,3bS,4R,7S,7aS diastereomer). Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C15H26O Net Charge 0 Average Mass 222.367 Monoisotopic Mass 222.19837 InChI InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m0/s1 InChIKey KONGRWVLXLWGDV-DEPYFDJDSA-N SMILES C1C[C@@H]([C@@]2([C@@]3([C@H]1C)CC[C@@]([C@@]23[H])(O)C)[H])C(C)C ChEBI Ontology Outgoing (+)-4-epi-cubebol (CHEBI:138041) is a carbotricyclic compound (CHEBI:38032) (+)-4-epi-cubebol (CHEBI:138041) is a sesquiterpenoid (CHEBI:26658) (+)-4-epi-cubebol (CHEBI:138041) is a tertiary alcohol (CHEBI:26878) IUPAC Name (3S,3aS,3bS,4R,7S,7aS)-3,7-dimethyl-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol Synonyms Sources (+)-4-epicubebol ChEBI (3S,3aS,3bS,4R,7S,7aS)-4-(2-hydroxypropan-2-yl)-7-methyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol SUBMITTER 4-epi-cubebol UniProt Manual Xref Database CPD-20135 MetaCyc View more database links Citation Type Source 27829890 PubMed citation SUBMITTER Last Modified 13 October 2017