CHEBI:66152 - kweichowenol B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name kweichowenol B
ChEBI ID CHEBI:66152
Definition A benzoate ester that is the diester obtained by the formal condensation of two molecules of benzoic acid with the hydroxymethyl group at position 1 and the hydroxy group at position 4 of 1-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol the (1S,4R,5S,6S stereoisomer). Isolated from the leaves of Uvaria kweichowensis, it exhibits antitumour activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H20O7
Net Charge 0
Average Mass 384.37930
Monoisotopic Mass 384.12090
InChI InChI=1S/C21H20O7/c22-17-16(28-20(25)15-9-5-2-6-10-15)11-12-21(26,18(17)23)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2/t16-,17+,18-,21+/m0/s1
InChIKey PCFGXGDGOLIQTE-TWFHAPMSSA-N
SMILES O[C@@H]1[C@@H](OC(=O)c2ccccc2)C=C[C@@](O)(COC(=O)c2ccccc2)[C@H]1O
Metabolite of Species Details
Uvaria kweichowensis (IPNI:75758-1) Found in leaf (BTO:0000713). 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): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing kweichowenol B (CHEBI:66152) has parent hydride cyclohexene (CHEBI:36404)
kweichowenol B (CHEBI:66152) has role antineoplastic agent (CHEBI:35610)
kweichowenol B (CHEBI:66152) has role metabolite (CHEBI:25212)
kweichowenol B (CHEBI:66152) is a benzoate ester (CHEBI:36054)
kweichowenol B (CHEBI:66152) is a triol (CHEBI:27136)
IUPAC Name
(1S,4R,5S,6S)-4-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate
Registry Number Type Source
10196166 Reaxys Registry Number Reaxys
Last Modified
18 March 2013