CHEBI:543745 - 3',4',5'-O-trimethyltricetin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3',4',5'-O-trimethyltricetin
ChEBI ID CHEBI:543745
ChEBI ASCII Name 3',4',5'-O-trimethyltricetin
Definition A trimethoxyflavone that is the 3',4',5'-tri-O-methyl ether of tricetin.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:604175, CHEBI:583720
Supplier Information
Download Molfile XML SDF
Formula C18H16O7
Net Charge 0
Average Mass 344.31540
Monoisotopic Mass 344.08960
InChI InChI=1S/C18H16O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-8,19-20H,1-3H3
InChIKey CPCPHNWWTJLXKQ-UHFFFAOYSA-N
SMILES COc1cc(cc(OC)c1OC)-c1cc(=O)c2c(O)cc(O)cc2o1
ChEBI Ontology
Outgoing 3',4',5'-O-trimethyltricetin (CHEBI:543745) has functional parent tricetin (CHEBI:507499)
3',4',5'-O-trimethyltricetin (CHEBI:543745) is a 3',5'-dimethoxyflavone (CHEBI:138732)
3',4',5'-O-trimethyltricetin (CHEBI:543745) is a dihydroxyflavone (CHEBI:38686)
3',4',5'-O-trimethyltricetin (CHEBI:543745) is a trimethoxyflavone (CHEBI:27124)
3',4',5'-O-trimethyltricetin (CHEBI:543745) is conjugate acid of 3',4',5'-O-trimethyltricetin(1−) (CHEBI:60020)
Incoming 3',4',5'-O-trimethyltricetin(1−) (CHEBI:60020) is conjugate base of 3',4',5'-O-trimethyltricetin (CHEBI:543745)
IUPAC Name
5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
Synonyms Sources
5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4-benzopyrone ChemIDplus
5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one ChemIDplus
5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one ChEMBL
5,7-dihydroxy-3',4',5'-trimethoxyflavone ChEMBL
tricetin 3',4',5'-trimethyl ether ChEBI
Manual Xrefs Databases
C19807 KEGG COMPOUND
CPD-12573 MetaCyc
View more database links
Registry Numbers Types Sources
18103-42-9 CAS Registry Number ChemIDplus
329782 Beilstein Registry Number Beilstein
329782 Reaxys Registry Number Reaxys
Last Modified
12 December 2017