CHEBI:43445 - (+)-aristolochene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (+)-aristolochene
ChEBI ID CHEBI:43445
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43441, CHEBI:32418
Supplier Information ZINC000004096591
Download Molfile XML SDF
Formula C15H24
Net Charge 0
Average Mass 204.35106
Monoisotopic Mass 204.18780
InChI InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m0/s1
InChIKey YONHOSLUBQJXPR-KCQAQPDRSA-N
SMILES C[C@H]1CCCC2=CC[C@@H](C[C@]12C)C(C)=C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via aristolochene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-aristolochene (CHEBI:43445) is a aristolochene (CHEBI:36529)
(+)-aristolochene (CHEBI:43445) is enantiomer of (−)-aristolochene (CHEBI:18027)
Incoming (−)-aristolochene (CHEBI:18027) is enantiomer of (+)-aristolochene (CHEBI:43445)
IUPAC Names
(4S,4aR,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
7βH-eremophila-9,11-diene
Synonyms Sources
(+)-Aristolochene KEGG COMPOUND
(+)-aristolochene UniProt
(1S,7S,8aR)-aristolochene ChEBI
Aristolochene KEGG COMPOUND
Manual Xref Database
C02004 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
123408-96-8 CAS Registry Number KEGG COMPOUND
3588801 Beilstein Registry Number Beilstein
Last Modified
23 March 2015