Usambarensine; 3',4'-Dihydro

AlkaPlorer ID: AK191900

Synonym: Tchibangensine, 3',4'-Dihydrousambarensine, 5',6'-Dihydrousambarensine

IUPAC Name: 2-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-ylmethyl)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine

Structure

SMILES: CC=C1CN2CCC3=C(NC4=CC=CC=C34)C2CC1CC1=NCCC2=C1NC1=CC=CC=C21

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InChI: InChI=1S/C29H30N4/c1-2-18-17-33-14-12-23-21-8-4-6-10-25(21)32-29(23)27(33)16-19(18)15-26-28-22(11-13-30-26)20-7-3-5-9-24(20)31-28/h2-10,19,27,31-32H,11-17H2,1H3

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InChIKey: QIBOKZAYILIQKG-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 434.5870000000003

TPSA: 47.18

MolLogP: 5.950100000000005

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information