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CHEBI:64800 - (−)-sativene

ChEBI IDCHEBI:64800
ChEBI Name(−)-sativene
Stars
ASCII Name(-)-sativene
DefinitionA sesquiterpene that is octahydro-1H-1,4-methanoindene bearing methyl, isopropyl and methylidene substituents at positions 4, 7 and 8 respectively (the 1R,3aS,4R,7R,7aR-isomer).
Last Modified16 September 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12CC[C@@]3([H])C(=C)[C@]1(C)CC[C@H](C(C)C)[C@@]23[H]
InChIInChI=1S/C15H24/c1-9(2)11-7-8-15(4)10(3)12-5-6-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15+/m1/s1
InChIKeyVOBBUADSYROGAT-FQKPHLNHSA-N
Species of MetaboliteComponentSourceComments
Helminthosporium sativum (fungorum:172191) - PubMed (14324316)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
(−)-sativene (CHEBI:64800) has role fungal metabolite (CHEBI:76946)
(−)-sativene (CHEBI:64800) is a bridged compound (CHEBI:35990)
(−)-sativene (CHEBI:64800) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1R,3aS,4R,7R,7aR)-4-methyl-8-methylidene-7-(propan-2-yl)octahydro-1H-1,4-methanoindene
Synonyms  Source
sativeneChEBI
(1R,3aS,4R,7R,7aR)-7-isopropyl-4-methyl-8-methyleneoctahydro-1H-1,4-methanoindeneIUPAC
UniProt Name  Source
(−)-sativeneUniProt
Manual XrefsDatabases
C00021860KNApSAcK
Registry NumbersSources
Reaxys:6566324Reaxys
CAS:6813-05-4NIST Chemistry WebBook
Citations