Drug General Information
Drug ID
D0N6KM
Former ID
DNC011359
Drug Name
HESPERIDINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531262]
Structure
Download
2D MOL

3D MOL

Formula
C28H34O15
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
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
InChIKey
QUQPHWDTPGMPEX-QJBIFVCTSA-N
PubChem Compound ID
Target and Pathway
Target(s) Voltage-dependent N-type calcium channel Target Info Inhibitor [531262]
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 531262Bioorg 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).
Ref 531262Bioorg 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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