CHEBI:59016 - neohesperidin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name neohesperidin
ChEBI ID CHEBI:59016
Definition A flavanone glycoside that is hesperitin having an 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyl moiety attached to the 7-hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7504
Supplier Information
Download Molfile XML SDF
Formula C28H34O15
Net Charge 0
Average Mass 610.56060
Monoisotopic Mass 610.190
InChI InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChIKey ARGKVCXINMKCAZ-UZRWAPQLSA-N
SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O1
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 neohesperidin (CHEBI:59016) has functional parent hesperetin (CHEBI:28230)
neohesperidin (CHEBI:59016) has role antineoplastic agent (CHEBI:35610)
neohesperidin (CHEBI:59016) has role metabolite (CHEBI:25212)
neohesperidin (CHEBI:59016) is a 3'-hydroxyflavanones (CHEBI:48024)
neohesperidin (CHEBI:59016) is a dihydroxyflavanone (CHEBI:38749)
neohesperidin (CHEBI:59016) is a disaccharide derivative (CHEBI:63353)
neohesperidin (CHEBI:59016) is a flavanone glycoside (CHEBI:72730)
neohesperidin (CHEBI:59016) is a monomethoxyflavanone (CHEBI:38738)
neohesperidin (CHEBI:59016) is a neohesperidoside (CHEBI:25495)
IUPAC Name
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranoside
Synonyms Sources
(S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one ChemIDplus
Hesperetin 7-O-neohesperidoside KEGG COMPOUND
Neohesperidin KEGG COMPOUND
Database Links Databases
C00000987 KNApSAcK
C09806 KEGG COMPOUND
CPD-7074 MetaCyc
HMDB0030748 HMDB
LMPK12140452 LIPID MAPS
View more database links
Registry Numbers Types Sources
1279600 Beilstein Registry Number Beilstein
1279600 Reaxys Registry Number Reaxys
13241-33-3 CAS Registry Number KEGG COMPOUND
13241-33-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18045389 PubMed citation Europe PMC
21950163 PubMed citation Europe PMC
22102373 PubMed citation Europe PMC
23285810 PubMed citation Europe PMC
Last Modified
28 July 2014