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CHEBI:8116 - phorbol

ChEBI IDCHEBI:8116
ChEBI Namephorbol
Stars
DefinitionA diterpenoid with the structure of tigliane hydroxylated at C-4, -9, -12(β), -13 and -20, with an oxo group at C-3 and unsaturation at the 1- and 6-positions.
Last Modified7 February 2018
DownloadsMolfile

FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@]1([H])[C@]2(O)[C@H](C)[C@@H](O)[C@@]2(O)C(C)(C)[C@@]12[H]
InChIInChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1
InChIKeyQGVLYPPODPLXMB-UBTYZVCOSA-N

ChEBI Ontology
IUPAC Name 
(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one
Synonyms  Source
PhorbolKEGG COMPOUND
4,9,12β,13,20-pentahydroxy-1,6-tigliadien-3-onChemIDplus
4,9,12β,13,20-pentahydroxytiglia-1,6-dien-3-oneChEBI
Manual XrefsDatabases
C09155KEGG COMPOUND
LMPR0104330001LIPID MAPS
C00003465KNApSAcK
Registry NumbersSources
Beilstein:2341335Beilstein
CAS:17673-25-5KEGG COMPOUND
CAS:17673-25-5ChemIDplus
Citations