CHEBI:83535 - neohesperidin dihydrochalcone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name neohesperidin dihydrochalcone
ChEBI ID CHEBI:83535
Definition A member of the dihydrochalcones that is 3,2',4',6'-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4' via glycosidic linkage. It is found in sweet orange.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C28H36O15
Net Charge 0
Average Mass 612.57640
Monoisotopic Mass 612.205
InChI InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChIKey ITVGXXMINPYUHD-CUVHLRMHSA-N
SMILES COc1ccc(CCC(=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)cc2O)cc1O
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
sweetening agent
Substance that sweeten food, beverages, medications, etc.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): sweetening agent
Substance that sweeten food, beverages, medications, etc.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing neohesperidin dihydrochalcone (CHEBI:83535) has role environmental contaminant (CHEBI:78298)
neohesperidin dihydrochalcone (CHEBI:83535) has role plant metabolite (CHEBI:76924)
neohesperidin dihydrochalcone (CHEBI:83535) has role sweetening agent (CHEBI:50505)
neohesperidin dihydrochalcone (CHEBI:83535) has role xenobiotic (CHEBI:35703)
neohesperidin dihydrochalcone (CHEBI:83535) is a dihydrochalcones (CHEBI:71230)
neohesperidin dihydrochalcone (CHEBI:83535) is a disaccharide derivative (CHEBI:63353)
neohesperidin dihydrochalcone (CHEBI:83535) is a neohesperidoside (CHEBI:25495)
IUPAC Name
3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Manual Xrefs Databases
HMDB0030542 HMDB
KR20110088743 Patent
Neohesperidin_dihydrochalcone Wikipedia
WO2011066754 Patent
View more database links
Registry Numbers Types Sources
20702-77-6 CAS Registry Number ChemIDplus
4285336 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23562496 PubMed citation Europe PMC
24274324 PubMed citation Europe PMC
24530446 PubMed citation Europe PMC
Last Modified
19 November 2014