(-)-Vallesamidine
AlkaPlorer ID: AK188209
Synonym: ''
IUPAC Name: (1S,9R,16R,19R)-16-ethyl-2-methyl-2,12-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-triene
Structure
SMILES: CC[C@@]12CCCN3CC[C@@H]4C5=CC=CC=C5N(C)[C@]4(CC1)[C@H]32
InChI: InChI=1S/C20H28N2/c1-3-19-10-6-13-22-14-9-16-15-7-4-5-8-17(15)21(2)20(16,12-11-19)18(19)22/h4-5,7-8,16,18H,3,6,9-14H2,1-2H3/t16-,18-,19-,20+/m1/s1
InChIKey: OEXGDKRAUFQNRI-AFYVEPGGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strempeliopsis strempelioides | Strempeliopsis | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 296.4580000000001
TPSA？: 6.48
MolLogP？: 4.017100000000004
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|