CHEBI:132831 - β-maaliene

ChEBI IDCHEBI:132831
ChEBI Nameβ-maaliene
Stars
ASCII Namebeta-maaliene
DefinitionA sesquiterpene that is 1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene carrying foru methyl substituents at positions 1, 1, 3a and 7.
Last Modified31 August 2022
Submitterliuqingping
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12CC[C@]3(C)CCCC(C)=C3[C@]1([H])C2(C)C
InChIInChI=1S/C15H24/c1-10-6-5-8-15(4)9-7-11-13(12(10)15)14(11,2)3/h11,13H,5-9H2,1-4H3/t11-,13-,15+/m1/s1
InChIKeyUPGLJTCDRBIZKP-KYOSRNDESA-N
Species of MetaboliteComponentSourceComments
Artemisia monosperma (ncbitaxon:72348)
leaf (BTO:0000713) PubMed (22978234)
stem (BTO:0001300) PubMed (22978234)
Nardostachys chinensis (ncbitaxon:179860) - PubMed (18404355) Also known as Nardostachys jatamansi and Nardostachys grandiflora
Angelica dahurica (ncbitaxon:48101) root (BTO:0001188) PubMed (21657081)
Cyperus articulatus (ncbitaxon:1352543) rhizome (BTO:0001181) DOI (10.1080/10412905.2006.9699179)
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
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)
β-maaliene (CHEBI:132831) has role plant metabolite (CHEBI:76924)
β-maaliene (CHEBI:132831) has role volatile oil component (CHEBI:27311)
β-maaliene (CHEBI:132831) is a carbotricyclic compound (CHEBI:38032)
β-maaliene (CHEBI:132831) is a polycyclic olefin (CHEBI:35714)
β-maaliene (CHEBI:132831) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1aR,3aS,7bS)-1,1,3a,7-tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
Synonym  Source
beta-MaalieneKNApSAcK
UniProt Name  Source
β-maalieneUniProt
Manual XrefsDatabases
C00029818KNApSAcK
Registry NumbersSources
Reaxys:2554764Reaxys
CAS:489-29-2KNApSAcK
CAS:489-29-2NIST Chemistry WebBook
Citations