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CHEBI:8 - (+)-8-hydroxycalamenene

Default Structure
ChEBI IDCHEBI:8
ChEBI Name(+)-8-hydroxycalamenene
Stars
DefinitionA sesquiterpenoid consisting of 5,6,7,8-tetrahydronaphthalen-1-ol having two methyl substituents at the 3- and 8-positions, an isopropyl substituent at the 5-position and (+)-(5R,8S)-configuration.
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H22O
Net Charge0
Average Mass218.340
Monoisotopic Mass218.16707
SMILESCc1cc(O)c2c(c1)[C@@H](C(C)C)CC[C@@H]2C
InChIInChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3/t11-,12+/m0/s1
InChIKeyFDMKIGKOMRSCAW-NWDGAFQWSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-8-hydroxycalamenene (CHEBI:8) has parent hydride cadinane (CHEBI:36513)
(+)-8-hydroxycalamenene (CHEBI:8) is a carbobicyclic compound (CHEBI:36785)
(+)-8-hydroxycalamenene (CHEBI:8) is a sesquiterpenoid (CHEBI:26658)
IUPAC Names 
(5R,8S)-3,8-dimethyl-5-(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
7βH-cadina-1,3,5-trien-2-ol
Synonyms  Source
(+)-8-HydroxycalameneneKEGG COMPOUND
(+)-hydroxycalameneneChEBI
Manual XrefsDatabases
C00002996KNApSAcK
C09938KEGG COMPOUND
LMPR0103330006LIPID MAPS
Registry NumbersSources
Reaxys:4671990Reaxys
Beilstein:5257045Beilstein
CAS:88642-92-6KEGG COMPOUND