CHEBI:65641 - Cleistanone(rac)

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ChEBI Name Cleistanone(rac)
ChEBI ID CHEBI:65641
Definition A natural product found in Cleistanthus collinus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H18O8
Net Charge 0
Average Mass 410.37350
Monoisotopic Mass 410.10017
InChI InChI=1S/C22H18O8/c1-25-14-7-11-12(8-15(14)26-2)20(23)19-18(21(24)30-22(19)27-3)17(11)10-4-5-13-16(6-10)29-9-28-13/h4-8,22-23H,9H2,1-3H3
InChIKey XURLTFUKDPZAPN-UHFFFAOYSA-N
SMILES COC1OC(=O)c2c1c(O)c1cc(OC)c(OC)cc1c2-c1ccc2OCOc2c1
Metabolite of Species Details
Cleistanthus collinus (NCBI:txid1357584) Found in aerial part (BTO:0001658). 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 Cleistanone(rac) (CHEBI:65641) has role metabolite (CHEBI:25212)
Cleistanone(rac) (CHEBI:65641) is a lignan (CHEBI:25036)
Synonym Source
rac-1-hydroxy-2a-methoxy-2-(-hydroxymethyl)-6,7-dimethoxy-4-(3,4-methylenedioxy-phenyl)-3-naphthoic acid-gamma-lactone ChEBI
Citation Waiting for Citations Type Source
14600376 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:lignan(CHEBI:25036); ISA:lactone(CHEBI:25000); ISA:naphthofuran(CHEBI:39270); ISA:biphenyls(CHEBI:22888); ISA:naphthols(CHEBI:25392); ISA:hydroxybenzoic acid(CHEBI:24676); ISA:2-benzofurans(CHEBI:38831); ISA:benzodioxoles(CHEBI:38298); ISA:methoxybenzene(CHEBI:51683); ISA:phenols(CHEBI:33853); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586); ISA:organic anion(CHEBI:25696);