Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0I9HF
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| Former ID |
DNAP001605
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| Drug Name |
Hesperidin
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| Synonyms |
hesperidin; 520-26-3; Cirantin; Hesperidoside; Hesper bitabs; Hesperetin-rutinosid; Hesperidine; UNII-E750O06Y6O; CCRIS 3940; (S)-(-)-Hesperidin; EINECS 208-288-1; NSC 44184; BRN 0075140; Hesperidin, (2S)-; Hesperetin 7-rutinoside; MLS001304066; (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one; CHEBI:28775; USAF CF-3; Hesperidin, (S)-(-)-; Hesperitin-7-rhamnoglucoside; E750O06Y6O; C28H34O15; HESPERIDINE
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| Drug Type |
Small molecular drug
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| Indication | Vascular purpura [ICD-11: 3B60; ICD-10: D69, D69.2] | Approved | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C28H34O15
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| Canonical SMILES |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
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| InChI |
1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
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| InChIKey |
QUQPHWDTPGMPEX-QJBIFVCTSA-N
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| CAS Number |
CAS 520-26-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
11943, 597195, 3133641, 7848101, 7980608, 8157671, 14765138, 16371849, 25629964, 26744171, 29204221, 29229096, 47349648, 47573634, 47944061, 48169693, 48394207, 49699078, 49975805, 50086731, 50124216, 50437257, 57326346, 57390547, 85083086, 85756526, 85788047, 87570505, 88836999, 103579460, 104253567, 104323809, 117494855, 117622849, 121363256, 124757709, 124800517, 125164513, 134348564, 134976842, 137006648, 141922378, 144203999, 152034869, 162037869, 163614430, 164788619, 172919069, 175267900, 175608015
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| ChEBI ID |
CHEBI:28775
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Lepidoptera | ||||
|
Studied Microbe: Pseudocera
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[2] | |||
| Hierarchy | ||||
| Metabolic Reaction | Deglycosylation | |||
| Resulting Metabolite | Hesperetin | |||
| Metabolic Effect | Increase activity | |||
| Description | Hesperidin can be metabolized to Hesperetin by Pseudocera through deglycosylation, which results in the increase of the drug's activity. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Gut microbiota | ||||
| Studied Microbe: Gut microbiota unspecific | [3] | |||
| Metabolic Reaction | Hydrolysis | |||
| Resulting Metabolite | Hesperetin | |||
| Metabolic Effect | Increase activity | |||
| Description | Hesperidin can be metabolized to Hesperetin by gut microbiota through hydrolysis, which results in the increase of the drug's activity. | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||
| REF 2 | The influence of gut microbiota on drug metabolism and toxicity. Expert Opin Drug Metab Toxicol. 2016;12(1):31-40. | |||
| REF 3 | The gastrointestinal microbiota as a site for the biotransformation of drugs. Int J Pharm. 2008 Nov 3;363(1-2):1-25. | |||
| REF 4 | In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. | |||
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