EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61677 - (+)-α-santalene

Default Structure
ChEBI IDCHEBI:61677
ChEBI Name(+)-α-santalene
Stars
ASCII Name(+)-alpha-santalene
DefinitionA sesquiterpene consisting of a tricyclo[2.2.1.02,6]heptane skeleton substituted by methyl groups at positions 1 and 7 and by a 4-methylpent-3-en-1-yl group at position 7 (the 1S,2R,4S,6R,7R diastereoisomer).
Last Modified15 November 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12C[C@@]3([H])[C@@]([H])(C1)[C@@]3(C)[C@]2(C)CCC=C(C)C
InChIInChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1
InChIKeyKWFJIXPIFLVMPM-KHMAMNHCSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-α-santalene (CHEBI:61677) is a bridged compound (CHEBI:35990)
(+)-α-santalene (CHEBI:61677) is a sesquiterpene (CHEBI:35189)
Incoming Relation(s)
α-santalenoic acid (CHEBI:131503) has parent hydride (+)-α-santalene (CHEBI:61677)
IUPAC Name 
(1S,2R,4S,6R,7R)-1,7-dimethyl-7-(4-methylpent-3-en-1-yl)tricyclo[2.2.1.02,6]heptane
Synonym  Source
α-santaleneChEBI
UniProt Name  Source
(+)-α-santaleneUniProt
Manual XrefsDatabases
C00021850KNApSAcK
CPD-11377MetaCyc
HMDB0034939HMDB
Registry NumbersSources
Reaxys:3195968Reaxys
Citations