CHEBI:3740 - cleomiscosin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cleomiscosin A
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 0
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
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.
View more via ChEBI Ontology
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)
Synonym Source
Cleomiscosin A KEGG COMPOUND
Manual Xrefs Databases
C00002984 KNApSAcK
View more database links
Registry Numbers Types Sources
6773036 Reaxys Registry Number Reaxys
76948-72-6 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
17366738 PubMed citation Europe PMC
18651599 PubMed citation Europe PMC
18800331 PubMed citation Europe PMC
19720117 PubMed citation Europe PMC
20813432 PubMed citation Europe PMC
21854171 PubMed citation Europe PMC
Last Modified
28 July 2014