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CHEBI:65884 - Euphorbia diterpenoid 2

ChEBI IDCHEBI:65884
ChEBI NameEuphorbia diterpenoid 2
Stars
ASCII NameEuphorbia diterpenoid 2
DefinitionA tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against urease.
Last Modified23 January 2013
DownloadsMolfile
FormulaC32H39NO11
Net Charge0
Average Mass613.660
Monoisotopic Mass613.25231
SMILES[H][C@@]12[C@@H](OC(=O)c3cccnc3)[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(C)=O
InChIInChI=1S/C32H39NO11/c1-16(2)22-10-11-23(41-18(4)34)30-15-40-32(39,29(7,38)26(22)30)31(44-20(6)36)13-17(3)25(42-19(5)35)24(31)27(30)43-28(37)21-9-8-12-33-14-21/h8-12,14,17,22-27,38-39H,1,13,15H2,2-7H3/t17-,22+,23+,24+,25-,26-,27+,29-,30+,31+,32+/m0/s1
InChIKeyJWNQQMAJTFWUKZ-PJWNUARVSA-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 3.5.1.5 (urease) inhibitor  EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the activity of urease (EC 3.5.1.5), reducing hydrolysis.
ChEBI Ontology
Outgoing Relation(s)
Euphorbia diterpenoid 2 (CHEBI:65884) has functional parent nicotinic acid (CHEBI:15940)
Euphorbia diterpenoid 2 (CHEBI:65884) has role EC 3.5.1.5 (urease) inhibitor (CHEBI:50635)
Euphorbia diterpenoid 2 (CHEBI:65884) has role metabolite (CHEBI:25212)
Euphorbia diterpenoid 2 (CHEBI:65884) is a acetate ester (CHEBI:47622)
Euphorbia diterpenoid 2 (CHEBI:65884) is a bridged compound (CHEBI:35990)
Euphorbia diterpenoid 2 (CHEBI:65884) is a cyclic ether (CHEBI:37407)
Euphorbia diterpenoid 2 (CHEBI:65884) is a lactol (CHEBI:38131)
Euphorbia diterpenoid 2 (CHEBI:65884) is a tetracyclic diterpenoid (CHEBI:52557)
IUPAC Name 
(2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10R,10aR)-3,5,10a-tris(acetyloxy)-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 pyridine-3-carboxylate
Registry NumbersSources
Reaxys:9460756Reaxys
Citations