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CHEBI:139480 - (+)-O-methylkolavelool

ChEBI IDCHEBI:139480
ChEBI Name(+)-O-methylkolavelool
Stars
ASCII Name(+)-O-methylkolavelool
DefinitionA diterpenoid that is (+)-kolavelool in which the tertiary hydroxy hydrogen has been replaced by a methyl group.
Last Modified12 February 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H36O
Net Charge0
Average Mass304.518
Monoisotopic Mass304.27662
SMILES[H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CCC(C)(C=C)OC
InChIInChI=1S/C21H36O/c1-8-19(4,22-7)14-15-21(6)17(3)12-13-20(5)16(2)10-9-11-18(20)21/h8,10,17-18H,1,9,11-15H2,2-7H3/t17-,18+,19?,20+,21+/m0/s1
InChIKeyVRVYZZJPEDVTBX-POFDQXHJSA-N
Species of MetaboliteComponentSourceComments
Herpetosiphon aurantiacus (ncbitaxon:65) - PubMed (25694050)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(+)-O-methylkolavelool (CHEBI:139480) has functional parent (+)-kolavelool (CHEBI:138313)
(+)-O-methylkolavelool (CHEBI:139480) has role bacterial metabolite (CHEBI:76969)
(+)-O-methylkolavelool (CHEBI:139480) is a diterpenoid (CHEBI:23849)
(+)-O-methylkolavelool (CHEBI:139480) is a ether (CHEBI:25698)
(+)-O-methylkolavelool (CHEBI:139480) is a octahydronaphthalenes (CHEBI:138397)
IUPAC Name 
(3S,4R,4aS,8aS)-4-(3-methoxy-3-methylpent-4-en-1-yl)-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
UniProt Name  Source
(+)-O-methylkolaveloolUniProt
Manual XrefsDatabases
CPD-20432MetaCyc
Citations