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CHEBI:138051 - selina-4(15),7(11)-diene

ChEBI IDCHEBI:138051
ChEBI Nameselina-4(15),7(11)-diene
Stars
DefinitionA bicyclic sesquiterpene that is 1-methylidenedecahydronaphthalene carrying additional methyl and isopropylidene substituents at positions 4a and 7 respectively.
Last Modified16 October 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12CC(=C(C)C)CC[C@@]1(C)CCCC2=C
InChIInChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3/t14-,15+/m0/s1
InChIKeyRMZHSBMIZBMVMN-LSDHHAIUSA-N
Species of MetaboliteComponentSourceComments
Chrysopogon zizanioides (ncbitaxon:167337) - Article (Kalsi,Tetrahedron,41,(1985),3387)
Atractlodes macrocephala (ncbitaxon:265785) - PubMed (17432574)
Humulus lupulus (ncbitaxon:3486) - Article (Buttery,Chem.Ind.,(1966),1225)
Stenocalyx michelii (IPNI:601273-1) - Article (Ruecker,Planta Med.,31,(1977),322)
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)
selina-4(15),7(11)-diene (CHEBI:138051) has parent hydride eudesmane (CHEBI:36522)
selina-4(15),7(11)-diene (CHEBI:138051) has role plant metabolite (CHEBI:76924)
selina-4(15),7(11)-diene (CHEBI:138051) is a carbobicyclic compound (CHEBI:36785)
selina-4(15),7(11)-diene (CHEBI:138051) is a polycyclic olefin (CHEBI:35714)
selina-4(15),7(11)-diene (CHEBI:138051) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(4aR,8aS)-4a-methyl-1-methylidene-7-(propan-2-ylidene)decahydronaphthalene
Synonyms  Source
Selina-4(14),7(11)-dieneKNApSAcK
Eudesma-4(14),7(11)-dieneKNApSAcK
(4aR-trans)-Decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthaleneKNApSAcK
UniProt Name  Source
selina-4(15),7(11)-dieneUniProt
Manual XrefsDatabases
CPD-20249MetaCyc
C00012714KNApSAcK
HMDB0038118HMDB
Registry NumbersSources
Reaxys:2206643Reaxys
CAS:515-17-3KNApSAcK
Citations