CHEBI:67785 - trigoxyphin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trigoxyphin A
ChEBI ID CHEBI:67785
Definition A natural product found in Trigonostemon thyrsoideum and Trigonostemon howii.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C34H34O9
Net Charge 0
Average Mass 586.62840
Monoisotopic Mass 586.22028
InChI InChI=1S/C34H34O9/c1-17(2)32-25(39-28(36)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,38)29(37)30(5)26(40-30)23(33)27(32)41-34(42-32,43-33)21-14-10-7-11-15-21/h6-16,19,22-23,25-27,29,37-38H,1H2,2-5H3/t19-,22-,23+,25+,26+,27-,29-,30+,31-,32+,33+,34?/m1/s1
InChIKey XVFFINDRMYVYJL-PULFBTHPSA-N
SMILES [H][C@@]12O[C@]1(C)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@]13OC4(O[C@]([H])([C@]21[H])[C@@](O4)([C@@H](OC(=O)c1ccccc1)[C@H]3C)C(C)=C)c1ccccc1
Metabolite of Species Details
Trigonostemon howii (IPNI:358018-1) Found in twig (BTO:0001411). 95% ethanolic extract of air-dried, powdered twigs See: PubMed
Trigonostemon thyrsoideum (NCBI:txid289660) Found in root (BTO:0001188). Methanolic extract of air-dried and powdered roots 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 trigoxyphin A (CHEBI:67785) has role metabolite (CHEBI:25212)
trigoxyphin A (CHEBI:67785) is a diterpenoid (CHEBI:23849)
Manual Xref Database
25048590 ChemSpider
View more database links
Citations Waiting for Citations Types Sources
21192108 PubMed citation Europe PMC
21520897 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzoate ester(CHEBI:36054); ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:ortho ester(CHEBI:71989); ISA:oxacycle(CHEBI:38104); ISA:dioxanes(CHEBI:46926); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:dioxolane(CHEBI:39430); ISA:ketone(CHEBI:17087); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:epoxide(CHEBI:32955); ISA:organonitrogen compound(CHEBI:35352);