O,N-Dimethylapateline
AlkaPlorer ID: AK018334
Synonym: '', 'Homotrilobin', '(+)-Isotrilobine', 'N,O-Dimethylcocsoline', 'Homotrilobine', 'Isotrilobin'
IUPAC Name: (8R,21R)-13,27-dimethoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@@H]1C3=C4OC5=C(C=C6CCN(C)[C@H](C2)C6=C5)OC4=C(OC)C=C3CCN1C
InChI: InChI=1S/C36H36N2O5/c1-37-13-11-23-18-31-32-20-26(23)27(37)16-22-7-10-29(39-3)30(17-22)41-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(40-4)35(42-31)36(34)43-32/h5-10,17-20,27-28H,11-16H2,1-4H3/t27-,28-/m1/s1
InChIKey: SVMNNRZZJAFEJM-VSGBNLITSA-N
Source
Properties Information
Molecule Weight: 576.6930000000002
TPSA？: 52.63
MolLogP？: 7.250900000000007
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 9
Activities Information
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