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CHEBI:65037 - miltiradiene

ChEBI IDCHEBI:65037
ChEBI Namemiltiradiene
Stars
DefinitionAn abietadiene in which the two doule bonds are located at positions 8 and 12. It is a key intermediate in the biosynthesis of many important natural diterpene compounds such as triptolide, tanshinones, carnosic acid and carnosol.
Last Modified16 February 2021
SubmitterKAX
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@@]12CCC3=C(CC=C(C(C)C)C3)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18-,20+/m0/s1
InChIKeyBGVUIJDZTQIJIO-AZUAARDMSA-N
Species of MetaboliteComponentSourceComments
Tripterygium wilfordii (ncbitaxon:458696) - PubMed (26449416)
Salvia rosmarinus (ncbitaxon:39367) - DOI (10.1038/ncomms12942)
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)
miltiradiene (CHEBI:65037) has role plant metabolite (CHEBI:76924)
miltiradiene (CHEBI:65037) is a abietadiene (CHEBI:50072)
miltiradiene (CHEBI:65037) is a carbotricyclic compound (CHEBI:38032)
Incoming Relation(s)
11-oxomiltiradiene (CHEBI:167496) has functional parent miltiradiene (CHEBI:65037)
miltiradien-20-al (CHEBI:167488) has functional parent miltiradiene (CHEBI:65037)
IUPAC Name 
abieta-8,12-diene
UniProt Name  Source
miltiradieneUniProt
Manual XrefsDatabases
C00053491KNApSAcK
CPD-14312MetaCyc
C20711KEGG COMPOUND
Registry NumbersSources
Reaxys:19950804Reaxys
CAS:868784-51-4KNApSAcK
Citations