Conodurine

AlkaPlorer ID: AK359381

Synonym: None

IUPAC Name: methyl 15-ethylidene-12-(17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-5-yl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate

Structure

SMILES: CC=C1CN(C)C2CC3=C(NC4=CC=CC=C34)C(C3=C(OC)C=CC4=C3NC3=C4CCN4CC5CC(CC)C4C3C5)CC1C2C(=O)OC

copy

InChI: InChI=1S/C41H50N4O3/c1-6-23-16-22-17-31-37-27(14-15-45(20-22)40(23)31)26-12-13-34(47-4)36(39(26)43-37)30-18-28-24(7-2)21-44(3)33(35(28)41(46)48-5)19-29-25-10-8-9-11-32(25)42-38(29)30/h7-13,22-23,28,30-31,33,35,40,42-43H,6,14-21H2,1-5H3

copy

InChIKey: CTUPMYJRNOILMK-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 646.8760000000003

TPSA: 73.59

MolLogP: 7.161700000000008

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information