Toxiferine I; Monodeoxy, di-N-de-Me
AlkaPlorer ID: AK316201
Synonym: Caracurine VI, Bisnor-C-alkaloid H, 18-Hydroxynordihydrotoxiferine, Dinor-C-alkaloid H
IUPAC Name: 2-(38-ethylidene-8,14,24,30-tetrazaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene)ethanol
Structure
SMILES: CC=C1CN2CCC34C5=CC=CC=C5N5C=C6C7CC8N(CCC89C8=CC=CC=C8N(C=C(C1CC23)C54)C69)CC7=CCO
InChI: InChI=1S/C38H40N4O/c1-2-23-19-39-14-12-37-29-7-3-6-10-32(29)42-22-28-26-18-34-38(13-15-40(34)20-24(26)11-16-43)30-8-4-5-9-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h2-11,21-22,25-26,33-36,43H,12-20H2,1H3
InChIKey: OTZPNRYBSMNTJD-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 568.7650000000002
TPSA？: 33.19
MolLogP？: 5.101600000000006
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 11
Activities Information
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