Leptocarpinine

AlkaPlorer ID: AK304166

Synonym: None

IUPAC Name: methyl 6-(8-methyl-10-methylidene-6,7-dihydro-[1,3]dioxolo[4,5-g][3]benzazepin-8-ium-9-yl)-1,3-benzodioxole-5-carboxylate

Structure

SMILES: C=C1C(C2=CC3=C(C=C2C(=O)OC)OCO3)=[N+](C)CCC2=C1C1=C(C=C2)OCO1

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InChI: InChI=1S/C22H20NO6/c1-12-19-13(4-5-16-21(19)29-11-26-16)6-7-23(2)20(12)14-8-17-18(28-10-27-17)9-15(14)22(24)25-3/h4-5,8-9H,1,6-7,10-11H2,2-3H3/q+1

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InChIKey: XIWJSLJOQFQKRN-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 394.4030000000002

TPSA: 66.23

MolLogP: 2.631500000000001

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information