CHEBI:50295 - 1,9-dideoxyforskolin

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ChEBI Name 1,9-dideoxyforskolin
ChEBI ID CHEBI:50295
Definition A labdane diterpenoid that is the 1,9-dideoxy derivative of forskolin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H34O5
Net Charge 0
Average Mass 378.50236
Monoisotopic Mass 378.24062
InChI InChI=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
InChIKey ZKZMDXUDDJYAIB-SUCLLAFCSA-N
SMILES [H][C@@]12[C@H](O)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3([H])[C@@]1(C)CCCC2(C)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.
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ChEBI Ontology
Outgoing 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 Sources
(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-one ChemIDplus
(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-one ChemIDplus
7β-acetoxy-8,13-epoxy-6β-hydroxylabd-14-en-11-one ChEBI
Manual Xref Database
LMPR0104030009 LIPID MAPS
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Registry Numbers Types Sources
5304980 Reaxys Registry Number Reaxys
5304980 Beilstein Registry Number Beilstein
64657-18-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16749796 PubMed citation Europe PMC
19831022 PubMed citation Europe PMC
Last Modified
04 March 2014