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CHEBI:4941 - 4-deoxyphorbol 12-acetate 13-(2Z,4E,6E)-deca-2,4,6-trienoate

Default Structure
ChEBI IDCHEBI:4941
ChEBI Name4-deoxyphorbol 12-acetate 13-(2Z,4E,6E)-deca-2,4,6-trienoate
Stars
ASCII Name4-deoxyphorbol 12-acetate 13-(2Z,4E,6E)-deca-2,4,6-trienoate
DefinitionA phorbol ester that consists of 4-deoxyphorbol bearing O-acetyl and O-[13-(2Z,4E,6E)-deca-2,4,6-trienoyl] substituents at position 12 and 13 respectively.
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H42O7
Net Charge0
Average Mass538.681
Monoisotopic Mass538.29305
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1([H])CC(CO)=C[C@]1([H])[C@]2(O)[C@H](C)[C@@H](OC(C)=O)[C@@]2(OC(=O)/C=C\C=C\C=C\CCC)C(C)(C)[C@@]12[H]
InChIInChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-26(35)39-32-28(30(32,5)6)25-17-22(18-33)16-23-24(15-19(2)27(23)36)31(25,37)20(3)29(32)38-21(4)34/h9-15,17,20,23-25,28-29,33,37H,7-8,16,18H2,1-6H3/b10-9+,12-11+,14-13-/t20-,23+,24-,25+,28-,29-,31+,32-/m1/s1
InChIKeyHZIPPZZEKIZPCY-PYANXVGJSA-N
ChEBI Ontology
Outgoing Relation(s)
4-deoxyphorbol 12-acetate 13-(2Z,4E,6E)-deca-2,4,6-trienoate (CHEBI:4941) is a phorbol ester (CHEBI:37532)
IUPAC Name 
(1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-acetoxy-7b-hydroxy-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 (2Z,4E,6E)-deca-2,4,6-trienoate
Synonym  Source
Euphorbia factor Ti2KEGG COMPOUND
Manual XrefsDatabases
C00003425KNApSAcK
C09091KEGG COMPOUND
Registry NumbersSources
CAS:64180-96-7KEGG COMPOUND