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CHEBI:138313 - (+)-kolavelool

ChEBI IDCHEBI:138313
ChEBI Name(+)-kolavelool
Stars
DefinitionA member of the class of octahydronaphthalenes that is 1,2,3,4,4a,7,8,8a-octahydronaphthalene which is substituted at position 1 by a 3-hydroxy-3-methylpent-1-en-5-yl group and a methyl group, and by further methyl groups at positions 2, 4, and 5 (the 1R,2S,4aS,8aS stereoisomer; the stereochemistry at the tertiary alcohol was not determined).
Last Modified12 February 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)CCC(C)(O)C=C
InChIInChI=1S/C20H34O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,9,16-17,21H,1,8,10-14H2,2-6H3/t16-,17+,18?,19+,20+/m0/s1
InChIKeyYBDUXZKWDIUNSG-JPNUPGBZSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-kolavelool (CHEBI:138313) is a diterpenoid (CHEBI:23849)
(+)-kolavelool (CHEBI:138313) is a octahydronaphthalenes (CHEBI:138397)
(+)-kolavelool (CHEBI:138313) is a tertiary allylic alcohol (CHEBI:134397)
Incoming Relation(s)
(+)-O-methylkolavelool (CHEBI:139480) has functional parent (+)-kolavelool (CHEBI:138313)
IUPAC Name 
3-methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-1-en-3-ol
UniProt Name  Source
(+)-kolaveloolUniProt
Manual XrefsDatabases
CPD-20431MetaCyc
Registry NumbersSources
Reaxys:8930624Reaxys
Citations