Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0A1MW
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| Former ID |
DIB018752
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| Drug Name |
aconitine
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| Synonyms |
aconitine; 302-27-2; CHEBI:2430; Acetylbenzoylaconine; NSC56464; 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diyl 8-acetate 14-benzoate; 16-Ethyl-1alpha,6alpha,19beta-trimethoxy-4-(methoxymethyl)-aconitane-3alpha,8,10alpha,11,18alpha-pentol, 8-acetate 10-benzoate; NCGC00163146-01; CAS-302-27-2; DSSTox_RID_81535; DSSTox_CID_26319; SCHEMBL73323; DSSTox_GSID_46319; GTPL2617; DTXSID4046319; CHEMBL1979562; MolPort-002-527-310; Tox21_112015; NSC-56464; AKOS032428256
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C34H47NO11
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| Canonical SMILES |
CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC
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| InChI |
1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1
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| InChIKey |
XFSBVAOIAHNAPC-XTHSEXKGSA-N
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| CAS Number |
CAS 302-27-2
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:2430
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Voltage-gated sodium channel alpha Nav1.2 (SCN2A) | Target Info | Activator | [2] |
| Voltage-gated sodium channel alpha Nav1.5 (SCN5A) | Target Info | Activator | [3] | |
| KEGG Pathway | Adrenergic signaling in cardiomyocytes | |||
| Pathwhiz Pathway | Muscle/Heart Contraction | |||
| Reactome | Interaction between L1 and Ankyrins | |||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Cardiac Progenitor Differentiation | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2617). | |||
| REF 2 | Binding of batrachotoxinin A 20-alpha-benzoate to a receptor site associated with sodium channels in synaptic nerve ending particles. J Biol Chem. 1981 Sep 10;256(17):8922-7. | |||
| REF 3 | Properties of aconitine-modified sodium channels in single cells of mouse ventricular myocardium. Gen Physiol Biophys. 1986 Oct;5(5):473-84. | |||
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