(Q18609455)

Neohesperidin (English)

(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

5 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₄O₁₅

1 reference

Neohesperidin (English)

5 October 2016

canonical SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O

1 reference

Neohesperidin (English)

5 October 2016

isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O

1 reference

Chemical constituents from the peels of Citrus sudachi

Neohesperidin (English)

5 October 2016

3 references

Antimicrobial activity of flavonoids extracted from bergamot (Citrus bergamia Risso) peel, a byproduct of the essential oil industry.

Secondary metabolites of ponderosa lemon (Citrus pyriformis) and their antioxidant, anti-inflammatory, and cytotoxic activities.

Citrus sudachi

3 references

Chemical constituents from the peels of Citrus sudachi

Antimicrobial activity of flavonoids extracted from bergamot (Citrus bergamia Risso) peel, a byproduct of the essential oil industry.

Secondary metabolites of ponderosa lemon (Citrus pyriformis) and their antioxidant, anti-inflammatory, and cytotoxic activities.

Uncaria hirsuta

1 reference

Constituents of Leaves of Uncaria Hirsuta Haviland

mandarin orange

2 references

Antimicrobial activity of flavonoids extracted from bergamot (Citrus bergamia Risso) peel, a byproduct of the essential oil industry.

Secondary metabolites of ponderosa lemon (Citrus pyriformis) and their antioxidant, anti-inflammatory, and cytotoxic activities.

Citrus unshiu

2 references

Antimicrobial activity of flavonoids extracted from bergamot (Citrus bergamia Risso) peel, a byproduct of the essential oil industry.

Secondary metabolites of ponderosa lemon (Citrus pyriformis) and their antioxidant, anti-inflammatory, and cytotoxic activities.

Trifoliate orange

2 references

Antimicrobial activity of flavonoids extracted from bergamot (Citrus bergamia Risso) peel, a byproduct of the essential oil industry.

Secondary metabolites of ponderosa lemon (Citrus pyriformis) and their antioxidant, anti-inflammatory, and cytotoxic activities.

Citrus × deliciosa

2 references

Secondary metabolites of ponderosa lemon (Citrus pyriformis) and their antioxidant, anti-inflammatory, and cytotoxic activities.

Antimicrobial activity of flavonoids extracted from bergamot (Citrus bergamia Risso) peel, a byproduct of the essential oil industry.

Citrus × paradisi

7 references

Differentiation of citrus juices by factorial discriminant analysis using liquid chromatography of flavanone glycosides

Limonoids and Flavonoids in Juices of Oroblanco and Melogold Grapefruit Hybrids

Variance of common flavonoids by brand of grapefruit juice

Quantitative survey of narirutin, naringin, hesperidin, and neohesperidin in citrus

Simultaneous separation of flavanone glycosides and polymethoxylated flavones in citrus juices using liquid chromatography

Determination of phenolic constituents in citrus juices: Method of high performance liquid chromatography

Separation of flavanone-7-O-glycoside diastereomers and analysis in citrus juices by multidimensional liquid chromatography coupled with mass spectrometry

Citrus medica var. sarcodactylis

3 references

Chemical constituents from the peels of Citrus sudachi

Secondary metabolites of ponderosa lemon (Citrus pyriformis) and their antioxidant, anti-inflammatory, and cytotoxic activities.

Antimicrobial activity of flavonoids extracted from bergamot (Citrus bergamia Risso) peel, a byproduct of the essential oil industry.

Citrus grandis

2 references

Limonoids and Flavonoids in Juices of Oroblanco and Melogold Grapefruit Hybrids

Quantitative survey of narirutin, naringin, hesperidin, and neohesperidin in citrus

pomelo

2 references

Limonoids and Flavonoids in Juices of Oroblanco and Melogold Grapefruit Hybrids

Quantitative survey of narirutin, naringin, hesperidin, and neohesperidin in citrus

Kumquat

3 references

Chemical constituents from the peels of Citrus sudachi

Secondary metabolites of ponderosa lemon (Citrus pyriformis) and their antioxidant, anti-inflammatory, and cytotoxic activities.

Antimicrobial activity of flavonoids extracted from bergamot (Citrus bergamia Risso) peel, a byproduct of the essential oil industry.

Citrus japonica

3 references

Chemical constituents from the peels of Citrus sudachi

Secondary metabolites of ponderosa lemon (Citrus pyriformis) and their antioxidant, anti-inflammatory, and cytotoxic activities.

Antimicrobial activity of flavonoids extracted from bergamot (Citrus bergamia Risso) peel, a byproduct of the essential oil industry.

1 reference

Neohesperidin

0 references

Identifiers

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

1 reference

Neohesperidin (English)

ARGKVCXINMKCAZ-UZRWAPQLSA-N

5 October 2016

InChIKey

2 references

Neohesperidin (English)

5 October 2016

ChEBI release 2020-09-01

2 references

neohesperidin (English)

ARGKVCXINMKCAZ-UZRWAPQLSA-N

5 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=13241-33-3

1 reference

Neohesperidin (English)

5 October 2016

1 reference

Neohesperidin (English)

5 October 2016

Reaxys registry number

1279600

1 reference

neohesperidin (English)

5 October 2016

ChEBI ID

59016

mapping relation type

1 reference

neohesperidin (English)

5 October 2016

1 reference

splash10-0udi-0109400000-7016ae5642b2a2f4d6d1

NEOHESPERIDIN (English)

5 October 2016

1 reference

MassBank accession ID

0 references

0 references

0 references

0 references

0 references

0 references

0 references

splash10-0udi-1209000000-b09947020c97e6e0c20c

0 references

splash10-0udi-5209000000-ccb6cfd3bf2abb203c86

0 references

splash10-0udi-5309000000-23829ee710e7f7d32bf8

0 references

splash10-0bt9-0000009000-bed4c730fbed8e2a4006

0 references

splash10-08fr-0000009000-9ad20029d42112ed40e7

0 references

splash10-08fr-0000009000-f2ff3ab3d517db22dfbb

0 references

splash10-0r00-0004009000-445b6edddb4092c4c3fa

0 references

splash10-0udi-0009004000-fa40d914eb3b97fcc2e5

0 references

splash10-0udi-0009000000-443fe21281b4af7f7f46

0 references

splash10-0pb9-0327009000-7163d38f94a1a265b5e6

0 references

splash10-0pb9-0006109000-2ca6535c0f07115ddb09

0 references

splash10-0udi-0819100000-19b6c949fa75cdd5968f

0 references

DSSTox substance ID

DTXSID60927668

0 references

DSSTOX compound identifier

0 references

0 references

236-216-9

1 reference

Global Substance Registration System

UNII

OA5C88H3L0

NEOHESPERIDIN (English)

ECHA Substance Infocard ID

5 October 2016

100.032.910

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.032.910

27 December 2018

Human Metabolome Database ID

(S)-7-[[2-O-6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one (English)

quotation

CAS no.: 13241-33-3 (English)

1 reference

28 December 2019

NEOHESPERIDIN (English)

quotation

CAS no.: 13241-33-3 (English)

0 references

1 reference

Global Substance Registration System

neohesperidin (English)

5 October 2016

1 reference

UNII

OA5C88H3L0