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ChEBI
> Main
CHEBI:59016 - neohesperidin
Main
ChEBI Ontology
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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
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Formula
C28H34O15
Net Charge
0
Average Mass
610.56060
Monoisotopic Mass
610.18977
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):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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
plant metabolite (
CHEBI:76924
)
neohesperidin (
CHEBI:59016
)
is a
3'-hydroxyflavanones (
CHEBI:48024
)
neohesperidin (
CHEBI:59016
)
is a
4'-methoxyflavanones (
CHEBI:140332
)
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
(2
S
)-
5-
hydroxy-
2-
(3-
hydroxy-
4-
methoxyphenyl)-
4-
oxo-
3,4-
dihydro-
2
H
-
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
Manual Xrefs
Databases
C00000987
KNApSAcK
C09806
KEGG COMPOUND
CPD-7074
MetaCyc
HMDB0030748
HMDB
LMPK12140452
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1279600
Reaxys Registry Number
Reaxys
13241-33-3
CAS Registry Number
KEGG COMPOUND
13241-33-3
CAS Registry Number
ChemIDplus
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
06 April 2018