Cepharanthine; 1'-Epimer, 1,2,3,4-tetradehydro, N2-de-Me 

AlkaPlorer ID: AK291941

Synonym: (-)-1,3,4-Dehydrocepharanthine

IUPAC Name: 22,33-dimethoxy-13-methyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),27,29,31,34-tetradecaene

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=C(C=C4OCOC4=C3OC3=C(OC)C=C4C=CN=C(C2)C4=C3)CCN1C

copy

InChI: InChI=1S/C36H32N2O6/c1-38-13-11-24-18-33-35(42-20-41-33)36-34(24)28(38)15-21-4-7-25(8-5-21)43-31-16-22(6-9-29(31)39-2)14-27-26-19-32(44-36)30(40-3)17-23(26)10-12-37-27/h4-10,12,16-19,28H,11,13-15,20H2,1-3H3

copy

InChIKey: JODMXLDHEGDZDL-UHFFFAOYSA-N

copy

Reference

PubChem CID: 78156209

COCONUT: CNP0186482.1

Source

Properties Information

Molecule Weight: 588.6600000000002

TPSA: 71.51

MolLogP: 7.241200000000007

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information