Dimethylwarifteine

AlkaPlorer ID: AK083069

Synonym: 'O-Methylcissampareine', 'O,O-Dimethylwarifteine'

IUPAC Name: (16R)-9,10,25,32-tetramethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.027,31.016,35]heptatriaconta-1(30),3(37),4,6(36),8(35),9,11,18,20,24,26,31,33-tridecaene

Structure

SMILES: COC1=C2OCC3=CC=C(C=C3)C[C@@H]3C4=C(C=C(OC)C(OC)=C4OC4=CC=C(C=C4)CC4=NCCC(=C1)C4=C2OC)CCN3C

copy

InChI: InChI=1S/C38H40N2O6/c1-40-17-15-27-21-31(41-2)35(43-4)38-34(27)30(40)19-24-6-8-25(9-7-24)22-45-36-32(42-3)20-26-14-16-39-29(33(26)37(36)44-5)18-23-10-12-28(46-38)13-11-23/h6-13,20-21,30H,14-19,22H2,1-5H3/t30-/m1/s1

copy

InChIKey: SYFXEESYCUKCFP-SSEXGKCCSA-N

copy

Source

Properties Information

Molecule Weight: 620.7460000000001

TPSA: 70.98

MolLogP: 6.765300000000009

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information