Compound Summary
Compound Information
neohesperidin
Compound Name: | neohesperidin |
Compound CID: | 442439 |
Synonyms: | Neohesperidin 13241-33-3 Hesperetin-7-neohesperidoside OA5C88H3L0 (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 More... |
Iupac Name: | (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
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 |
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 |
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 |
Molecular Weight: | 610.6 |
Molecular Formula: | C28H34O15 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
neohesperidin
Molecular Weight: | 610.6 |
Molecular Formula: | C28H34O15 |
Hydrogen Bond Donor Count: | 8 |
Hydrogen Bond Acceptor Count: | 15 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 43 |
Complexity: | 940 |
Synonyms
neohesperidin
| neohesperidin | neohesperidin |
|---|---|
Neohesperidin |
13241-33-3 |
Hesperetin-7-neohesperidoside |
OA5C88H3L0 |
(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 |
CHEBI:59016 |
NSC 31048 |
Hesperetin 7-O-neohesperidoside |
(2S)-7-(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yloxyoxan-2-yloxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
(S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one |
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside |
NSC-31048 |
Neohesperidin, >=90% |
(2S)-NEOHESPERIDIN |
NEOHESPERIDIN INCI |
UNII-OA5C88H3L0 |
SCHEMBL121675 |
NEOHESPERIDIN USP-RS |
CHEMBL506398 |
FEMA NO. 4799 |
DTXSID60927668 |
Neohesperidin, analytical standard |
HY-N0101 |
ZINC8234302 |
EINECS 236-216-9 |
MFCD16661259 |
AKOS015899387 |
CS-6413 |
BRN 0074945 |
SMP1_000209 |
AS-75238 |
XH161790 |
C09806 |
5-18-05-00219 (Beilstein Handbook Reference) |
Q18609455 |
8-HYDROXYQUINOLINE-2-CARBOXALDEHYDE8-QUINOLYLHYDRAZONE |
Neohesperidin, United States Pharmacopeia (USP) Reference Standard |
(s)-a-d-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl) |
(2S)-7-{(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yloxy}oxan-2-yloxy}-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one |
4H-1-Benzopyran-4-one, 2,3-dihydro-7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- |
4H-1-BENZOPYRAN-4-ONE, 7-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-, (2S)- |
4H-1-BENZOPYRAN-4-ONE, 7-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-, (S)- |
4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- |
4H-1-Benzopyran-4-one, 7-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)- |
FLAVANONE, 3,5,7-TRIHYDROXY-4-METHOXY-, 7-(2-O-.ALPHA.-L-RHAMNOPYRANOSYL-.BETA.-D-GLUCOPYRANOSIDE)" |
Experimental Data
neohesperidin
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Saccharomyces cerevisiae | 0.1 | umol/L | 0 | S | BY4742 | 31766122 | Active |
Experimental Data Visualization
neohesperidin
Statistics Data
neohesperidin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Saccharomyces cerevisiae | 0 | 1 | 1 |
Statistics Data Visualization
neohesperidin
