3-Nor-4-oxocepharanthine

AlkaPlorer ID: AK308178

Synonym: None

IUPAC Name: 21,32-dimethoxy-12,27-dimethyl-2,5,7,19-tetraoxa-12,27-diazaoctacyclo[24.6.2.215,18.13,10.120,24.04,8.030,34.013,38]octatriaconta-1(32),3(38),4(8),9,15(37),16,18(36),20,22,24(35),30,33-dodecaen-11-one

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=C(C=C4OCOC4=C3OC3=C(OC)C=C4CCN(C)C(C2)C4=C3)C(=O)N1C

copy

InChI: InChI=1S/C36H34N2O7/c1-37-12-11-22-16-29(41-4)31-17-24(22)26(37)14-21-7-10-28(40-3)30(15-21)44-23-8-5-20(6-9-23)13-27-33-25(36(39)38(27)2)18-32-34(35(33)45-31)43-19-42-32/h5-10,15-18,26-27H,11-14,19H2,1-4H3

copy

InChIKey: VVVQFDANVPFHLR-UHFFFAOYSA-N

copy

Reference

PubChem CID: 78156208

COCONUT: CNP0231523.1

Source

Properties Information

Molecule Weight: 606.6750000000003

TPSA: 78.93

MolLogP: 6.471600000000007

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