Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0N6KM
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| Former ID |
DNC011359
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| Drug Name |
HESPERIDINE
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [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)C<br />5=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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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Voltage-dependent N-type calcium channel | Target Info | Inhibitor | [1] | |
| KEGG Pathway | MAPK signaling pathway | ||||
| Calcium signaling pathway | |||||
| Synaptic vesicle cycle | |||||
| Retrograde endocannabinoid signaling | |||||
| Cholinergic synapse | |||||
| Serotonergic synapse | |||||
| GABAergic synapse | |||||
| Dopaminergic synapse | |||||
| Taste transduction | |||||
| Type II diabetes mellitus | |||||
| Morphine addiction | |||||
| Nicotine addiction | |||||
| PANTHER Pathway | Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | ||||
| Ionotropic glutamate receptor pathway | |||||
| Metabotropic glutamate receptor group III pathway | |||||
| Metabotropic glutamate receptor group II pathway | |||||
| Thyrotropin-releasing hormone receptor signaling pathway | |||||
| Endogenous cannabinoid signaling | |||||
| GABA-B receptor II signaling | |||||
| Reactome | Depolarization of the Presynaptic Terminal Triggers the Opening of Calcium Channels | ||||
| WikiPathways | Calcium Regulation in the Cardiac Cell | ||||
| Synaptic Vesicle Pathway | |||||
| References | |||||
| REF 1 | Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. Epub 2010 Oct 21.In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). | ||||
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