voachalotine
AlkaPlorer ID: AK001422
Synonym: '', 'SMR000440749', 'Voachalotine', 'voachalotine', 'MLSMR', 'voachalotin', 'MLS000863636'
IUPAC Name: methyl (12S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
Structure
SMILES: C/C=C1/CN2C3C[C@@H]1C(CO)(C(=O)OC)[C@@H]2CC1=C3N(C)C2=CC=CC=C12
InChI: InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4-/t16-,18?,19-,22?/m0/s1
InChIKey: IWEYXWIPVZEVPT-RAVRWMCNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana solanifolia | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 366.46100000000007
TPSA？: 54.7
MolLogP？: 2.577600000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|