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CHEBI:50295 - 1,9-dideoxyforskolin

ChEBI IDCHEBI:50295
ChEBI Name1,9-dideoxyforskolin
Stars
DefinitionA labdane diterpenoid that is the 1,9-dideoxy derivative of forskolin.
Last Modified4 March 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILES[H][C@]12C(=O)C[C@](C)(C=C)O[C@]1(C)[C@@H](OC(C)=O)[C@@H](O)[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C22H34O5/c1-8-20(5)12-14(24)16-21(6)11-9-10-19(3,4)17(21)15(25)18(26-13(2)23)22(16,7)27-20/h8,15-18,25H,1,9-12H2,2-7H3/t15-,16+,17-,18-,20-,21+,22-/m0/s1
InChIKeyZKZMDXUDDJYAIB-SUCLLAFCSA-N
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)
1,9-dideoxyforskolin (CHEBI:50295) has functional parent forskolin (CHEBI:42471)
1,9-dideoxyforskolin (CHEBI:50295) has role plant metabolite (CHEBI:76924)
1,9-dideoxyforskolin (CHEBI:50295) is a acetate ester (CHEBI:47622)
1,9-dideoxyforskolin (CHEBI:50295) is a labdane diterpenoid (CHEBI:36770)
1,9-dideoxyforskolin (CHEBI:50295) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
(3R,4aS,5S,6S,6aS,10aS,10bR)-3-ethenyl-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate
Synonyms  Source
(3R,4aS,5S,6S,6aS,10aS,10bR)-5-(acetyloxy)-3-ethenyldodecahydro-6-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-1-oneChemIDplus
(3R-(3α,4aβ,5β,6β,6aα,10aβ,10bα))-5-(acetyloxy)-3-ethenyldodecahydro-6-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-1-oneChemIDplus
7β-acetoxy-8,13-epoxy-6β-hydroxylabd-14-en-11-oneChEBI
Manual XrefsDatabases
LMPR0104030009LIPID MAPS
Registry NumbersSources
Reaxys:5304980Reaxys
CAS:64657-18-7ChemIDplus
Citations