CHEBI:70536 - rel-12-O-Octanoylphorbol-13-acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rel-12-O-Octanoylphorbol-13-acetate
ChEBI ID CHEBI:70536
Definition A natural product found in Pimelea elongata.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000073168772
Download Molfile XML SDF
Formula C30H44O8
Net Charge 0
Average Mass 532.66560
Monoisotopic Mass 532.30362
InChI InChI=1S/C30H44O8/c1-7-8-9-10-11-12-23(33)37-26-18(3)29(36)21(24-27(5,6)30(24,26)38-19(4)32)14-20(16-31)15-28(35)22(29)13-17(2)25(28)34/h13-14,18,21-22,24,26,31,35-36H,7-12,15-16H2,1-6H3/t18-,21+,22-,24-,26-,28-,29-,30-/m1/s1
InChIKey SGGSFXYVDVXEDS-UZDJWKIJSA-N
SMILES [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CCCCCCC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C
Metabolite of Species Details
Pimelea elongata (IPNI:74472-3) Found in foliage leaf (PO:0009025). Airdried and milled foliage was soaked in 90% MeOH and extracted with MeOH See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing rel-12-O-Octanoylphorbol-13-acetate (CHEBI:70536) has role metabolite (CHEBI:25212)
rel-12-O-Octanoylphorbol-13-acetate (CHEBI:70536) is a phorbol ester (CHEBI:37532)
Citation Type Source
21049973 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:fatty acid ester(CHEBI:35748); ISA:tertiary alcohol(CHEBI:26878); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:primary alcohol(CHEBI:15734);