Isotrilobine; N2'-De-Me
AlkaPlorer ID: AK303117
Synonym: Trilobine
IUPAC Name: 13,27-dimethoxy-7-methyl-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)CC1NCCC3=CC(OC)=C4OC5=C(C=C6C(=C5)CCN(C)C6C2)OC4=C31
InChI: InChI=1S/C35H34N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,36H,10-15H2,1-3H3
InChIKey: XZAXGQMTBGFTFE-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 562.6660000000003
TPSA？: 61.42
MolLogP？: 6.908700000000007
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 9
Activities Information
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