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CHEBI:143779 - valerianol

ChEBI IDCHEBI:143779
ChEBI Namevalerianol
Stars
DefinitionA member of the class of octahydronaphthalenes that is 1,2,3,4,6,7,8,8a-octahydronaphthalene which is substituted by methyl groups at the 8 and 8a positions, and by a 2-hydroxypropan-2-yl group at position 2 (the 2R,8R,8aS stereoisomer).
Last Modified5 June 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILESC[C@@H]1CCC=C2CC[C@@H](C(C)(C)O)C[C@]21C
InChIInChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11-,13-,15+/m1/s1
InChIKeyMQWIFDHBNGIVPO-KYOSRNDESA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
valerianol (CHEBI:143779) has role plant metabolite (CHEBI:76924)
valerianol (CHEBI:143779) is a eremophilane sesquiterpenoid (CHEBI:36753)
valerianol (CHEBI:143779) is a germacrane sesquiterpenoid (CHEBI:68588)
valerianol (CHEBI:143779) is a octahydronaphthalenes (CHEBI:138397)
valerianol (CHEBI:143779) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-ol
Synonyms  Source
(+)-valerianolKNApSAcK
kusunolKNApSAcK
kusenolKNApSAcK
UniProt Name  Source
valerianolUniProt
Manual XrefsDatabases
CPD-22153MetaCyc
HMDB0034951HMDB
FDB013544FooDB
C00016999KNApSAcK
Registry NumbersSources
CAS:20489-45-6ChEBI
Citations