Kopsijasmine

AlkaPlorer ID: AK303690

Synonym: N1-Methoxycarbonyl-16,17-didehydrokopsinine, 10-Demethoxy-21-deoxykopsidasine 

IUPAC Name: dimethyl 2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7,17-tetraene-2,18-dicarboxylate

Structure

SMILES: COC(=O)C1=CC23CCCN4CCC5(C6=CC=CC=C6N(C(=O)OC)C15CC2)C43

copy

InChI: InChI=1S/C23H26N2O4/c1-28-18(26)16-14-21-8-5-12-24-13-11-22(19(21)24)15-6-3-4-7-17(15)25(20(27)29-2)23(16,22)10-9-21/h3-4,6-7,14,19H,5,8-13H2,1-2H3

copy

InChIKey: GRCRTDXUTMTMDD-UHFFFAOYSA-N

copy

Reference

PubChem CID: 13875407

CAS: 114639-86-0

COCONUT: CNP0201393.1

Properties Information

Molecule Weight: 394.4710000000002

TPSA: 59.08

MolLogP: 3.010900000000001

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information