Aristoteline; (+)-form, 9,10-Didehydro

AlkaPlorer ID: AK259524

Synonym: 9,10-Dehydroaristoteline

IUPAC Name: 1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2(10),4,6,8,12-pentaene

Structure

SMILES: CC1(C)N=C2CC3=C(NC4=CC=CC=C34)C3(C)CCC1CC23

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InChI: InChI=1S/C20H24N2/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/h4-7,12,15,21H,8-11H2,1-3H3

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InChIKey: BETSUSXBNICKTO-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 292.42600000000004

TPSA: 28.15

MolLogP: 4.631200000000003

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information