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CHEBI:46971 - premnaspirodiene

ChEBI IDCHEBI:46971
ChEBI Namepremnaspirodiene
Stars
DefinitionA spiro compound that is vetispirane that has been dehydrogenated to introduce a double bond position 6-7 and in which the isopropyl subsbstituent has been replaced by a prop-1-en-2-yl group (the 2R,5S,10R isomer).
Secondary ChEBI IDsCHEBI:27285, CHEBI:32294
Last Modified12 April 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESC=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CCC[C@H]2C
InChIInChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1
InChIKeyWEZDOYDDKIHCLM-RBSFLKMASA-N
Species of MetaboliteComponentSourceComments
Hyoscyamus muticus (ncbitaxon:35626) - PubMed (7706281)
Vernonia cinerea (IPNI:1164899-2) - Article (South African Journal of Botany. 2014, 95, 129-130)
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)
premnaspirodiene (CHEBI:46971) has parent hydride vetispirane (CHEBI:36754)
premnaspirodiene (CHEBI:46971) has role plant metabolite (CHEBI:76924)
premnaspirodiene (CHEBI:46971) is a sesquiterpene (CHEBI:35189)
premnaspirodiene (CHEBI:46971) is a spiro compound (CHEBI:33599)
IUPAC Name 
(2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene
Synonyms  Source
(−)-premnaspirodieneChEBI
(−)-vetispiradieneChEBI
UniProt Name  Source
(−)-vetispiradieneUniProt
Manual XrefsDatabases
C12142KEGG COMPOUND
CPD-4703MetaCyc
C00007637KNApSAcK
LMPR0103650003LIPID MAPS
6BWPDBeChem
Citations