cleomiscosin A (CHEBI:3740)

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ChEBI Name	cleomiscosin A

ChEBI ID	CHEBI:3740

Definition	An organic heterotricyclic compound that is 2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one substituted by 4-hydroxy-3-methoxy phenyl group at position 3, a hydroxymethyl group at position 2 and a methoxy group at position 5 (the 2R,3R stereoisomer). It exhibits anti-inflammatory activity.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C20H18O8

Net Charge

Average Mass

386.35210

Monoisotopic Mass

386.10017

InChI

InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-20-18-11(4-6-16(23)27-18)8-14(25-2)19(20)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1

InChIKey

OCBGWPJNUZMLCA-NVXWUHKLSA-N

SMILES

[H][C@@]1(Oc2c(OC)cc3ccc(=O)oc3c2O[C@@H]1CO)c1ccc(O)c(OC)c1

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):	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	cleomiscosin A (CHEBI:3740) has role anti-inflammatory agent (CHEBI:67079) cleomiscosin A (CHEBI:3740) has role metabolite (CHEBI:25212) cleomiscosin A (CHEBI:3740) is a δ-lactone (CHEBI:18946) cleomiscosin A (CHEBI:3740) is a aromatic ether (CHEBI:35618) cleomiscosin A (CHEBI:3740) is a organic heterotricyclic compound (CHEBI:26979) cleomiscosin A (CHEBI:3740) is a phenols (CHEBI:33853) cleomiscosin A (CHEBI:3740) is a primary alcohol (CHEBI:15734)

IUPAC Name

(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one

Synonym	Source
Cleomiscosin A	KEGG COMPOUND

Last Modified

28 July 2014