EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69820 - 12-deoxyphorbol-13-hexadecanoate

ChEBI IDCHEBI:69820
ChEBI Name12-deoxyphorbol-13-hexadecanoate
Stars
DefinitionA natural product found in Euphorbia fischeriana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC36H58O6
Net Charge0
Average Mass586.854
Monoisotopic Mass586.42334
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@]1([H])[C@]2(O)[C@H](C)C[C@@]2(OC(=O)CCCCCCCCCCCCCCC)C(C)(C)[C@@]12[H]
InChIInChI=1S/C36H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(38)42-35-22-26(3)36(41)28(31(35)33(35,4)5)21-27(24-37)23-34(40)29(36)20-25(2)32(34)39/h20-21,26,28-29,31,37,40-41H,6-19,22-24H2,1-5H3/t26-,28+,29-,31-,34-,35+,36-/m1/s1
InChIKeyQUVRUINWOFZNJL-IEIRSVMLSA-N
Species of MetaboliteComponentSourceComments
Euphorbia fischeriana (ncbitaxon:1035560) whole plant (BTO:0001461) PubMed (21534540) 90% EtOH extract of dried and powdered plant
Roles Classification
Biological Role:
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)
12-deoxyphorbol-13-hexadecanoate (CHEBI:69820) has role metabolite (CHEBI:25212)
12-deoxyphorbol-13-hexadecanoate (CHEBI:69820) is a phorbol ester (CHEBI:37532)
Synonyms  Source
12-Deoxyphorbol 13-palmitateChEBI
(1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl palmitateChEBI
Citations