CHEBI:66227 - Thonningianin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Thonningianin A
ChEBI ID CHEBI:66227
Definition A natural product found in Thonningia sanguinea.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C42H34O21
Net Charge 0
Average Mass 874.70680
Monoisotopic Mass 874.15926
InChI InChI=1S/C42H34O21/c43-20(7-6-15-4-2-1-3-5-15)30-21(44)10-17(11-22(30)45)60-42-36(55)38(63-39(56)16-8-23(46)31(50)24(47)9-16)37-27(61-42)14-59-40(57)18-12-25(48)32(51)34(53)28(18)29-19(41(58)62-37)13-26(49)33(52)35(29)54/h1-5,8-13,27,36-38,42,44-55H,6-7,14H2/t27-,36-,37-,38-,42-/m1/s1
InChIKey XQVKQEFQGYTUAR-VHBRHXFYSA-N
SMILES [H][C@@]12COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@]1([H])[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H](Oc1cc(O)c(C(=O)CCc3ccccc3)c(O)c1)O2
Metabolite of Species Details
Thonningia sanguinea (IPNI:329935-2) 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.
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Thonningianin A (CHEBI:66227) has role metabolite (CHEBI:25212)
Thonningianin A (CHEBI:66227) is a tannin (CHEBI:26848)
Synonym Source
(11aR,13S,14R,15R,15aR)-13-[3,5-Dihydroxy-4-(3-phenylpropanoyl)phenoxy]-2,3,4,5,6,7,14-heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-15-yl 3 ,4,5-trihydroxybenzoate ChEBI
Citation Waiting for Citations Type Source
10843586 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:flavonoids(CHEBI:72544); ISA:glycoside(CHEBI:24400); ISA:chalcones(CHEBI:23086); ISA:phenols(CHEBI:33853); ISA:gallate ester(CHEBI:37576); ISA:butanone(CHEBI:22951); ISA:carboxylic ester(CHEBI:33308); HFP:phloroglucinol(CHEBI:16204); ISA:benzoate ester(CHEBI:36054); ISA:acetophenones(CHEBI:22187); ISA:benzenetriol(CHEBI:22707); ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ether(CHEBI:35618); ISA:catechols(CHEBI:33566); ISA:resorcinols(CHEBI:33572); ISA:aromatic ketone(CHEBI:76224); ISA:oxanes(CHEBI:46942); ISA:enol(CHEBI:33823); ISA:enone(CHEBI:51689); ISA:enol ether(CHEBI:47985); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:lactone(CHEBI:25000); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:aromatic alcohol(CHEBI:33854); ISA:organic anion(CHEBI:25696);