Comment: Aristoteline is an alkaloid found in the traditional herbal remedy made from Aristotelia chilensis (maqui) leaves. Experimental evidence from assays with NaV1.8 suggests that Aristoteline might act as a NaV channel blocker. Blockade of this periperhal ion channel may contribute to the analgesic activity of Aristoteline-containing extracts.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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2
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Hydrogen bond donors
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2
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Rotatable bonds
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0
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Topological polar surface area
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24.06
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Molecular weight
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294.43
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XLogP
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3.01
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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CC1(C)C2CCC3(C)C(C2)C(CC4=C3NC5=C4C=CC=C5)N1
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Isomeric SMILES
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CC1(C2CCC3(C(C2)C(N1)CC4=C3NC5=CC=CC=C45)C)C
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InChI
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InChI=1S/C20H26N2/c1-19(2)12-8-9-20(3)15(10-12)17(22-19)11-14-13-6-4-5-7-16(13)21-18(14)20/h4-7,12,15,17,21-22H,8-11H2,1-3H3
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InChI Key
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QYBCOSRUKXCALD-UHFFFAOYSA-N
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