Aristolasene

AlkaPlorer ID: AK235676

Synonym: None

IUPAC Name: 20,20-dimethyl-10,19-diazapentacyclo[14.2.2.03,11.04,9.013,18]icosa-3(11),4,6,8,12,14-hexaene

Structure

SMILES: CC1(C)NC2CC3=C(C=C4C=CC1CC42)NC1=CC=CC=C31

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InChI: InChI=1S/C20H22N2/c1-20(2)13-8-7-12-9-18-16(11-19(22-20)15(12)10-13)14-5-3-4-6-17(14)21-18/h3-9,13,15,19,21-22H,10-11H2,1-2H3

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InChIKey: LRDPFMBNODYLKQ-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 290.41

TPSA: 27.82

MolLogP: 4.050100000000002

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information