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CHEBI:65883 - Euphorbia diterpenoid 1

Default Structure
ChEBI IDCHEBI:65883
ChEBI NameEuphorbia diterpenoid 1
Stars
ASCII NameEuphorbia diterpenoid 1
DefinitionA tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against prolyl endopeptidase (EC 3.4.21.26).
Last Modified23 December 2013
DownloadsMolfile
FormulaC35H44O11
Net Charge0
Average Mass640.726
Monoisotopic Mass640.28836
SMILES[H][C@@]12[C@@H](OC(=O)c3ccccc3)[C@@]34CO[C@](O)([C@@](C)(O)[C@]3([H])[C@@H](C(=C)C)C=C[C@H]4OC(C)=O)[C@@]1(OC(C)=O)C[C@H](C)[C@@H]2OC(=O)CCC
InChIInChI=1S/C35H44O11/c1-8-12-26(38)44-28-20(4)17-34(46-22(6)37)27(28)30(45-31(39)23-13-10-9-11-14-23)33-18-42-35(34,41)32(7,40)29(33)24(19(2)3)15-16-25(33)43-21(5)36/h9-11,13-16,20,24-25,27-30,40-41H,2,8,12,17-18H2,1,3-7H3/t20-,24+,25+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1
InChIKeyPGAJUQOMDBGDPH-BYYJYFEHSA-N
Species of MetaboliteComponentSourceComments
Euphorbia decipiens (ncbitaxon:1031519) whole plant (BTO:0001461) PubMed (12808253) Air-dried ground plants
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor  Any EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of prolyl oligopeptidase (EC 3.4.21.26).
ChEBI Ontology
Outgoing Relation(s)
Euphorbia diterpenoid 1 (CHEBI:65883) has role EC 3.4.21.26 (prolyl oligopeptidase) inhibitor (CHEBI:76779)
Euphorbia diterpenoid 1 (CHEBI:65883) has role metabolite (CHEBI:25212)
Euphorbia diterpenoid 1 (CHEBI:65883) is a acetate ester (CHEBI:47622)
Euphorbia diterpenoid 1 (CHEBI:65883) is a benzoate ester (CHEBI:36054)
Euphorbia diterpenoid 1 (CHEBI:65883) is a bridged compound (CHEBI:35990)
Euphorbia diterpenoid 1 (CHEBI:65883) is a butyrate ester (CHEBI:50477)
Euphorbia diterpenoid 1 (CHEBI:65883) is a cyclic ether (CHEBI:37407)
Euphorbia diterpenoid 1 (CHEBI:65883) is a lactol (CHEBI:38131)
Euphorbia diterpenoid 1 (CHEBI:65883) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name 
(2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10R,10aR)-5,10a-bis(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-2,9-dimethyl-8-(prop-1-en-2-yl)-2,3,3a,4,5,8,8a,9,10,10a-decahydro-1H-10,4a-(epoxymethano)benzo[f]azulen-4-yl benzoate
Registry NumbersSources
Reaxys:9461711Reaxys
Citations