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CHEBI:65884 - Euphorbia diterpenoid 2

Default Structure
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:
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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