Venenatine
AlkaPlorer ID: AK016041
Synonym: 'Alstovenine', '(+)-Isovenenatine', '(-)-Venenatine', '3-Isovenenatine', 'Isovenenatine'
IUPAC Name: methyl (1R,15S,18R,19S,20R)-18-hydroxy-8-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Structure
SMILES: COC(=O)[C@H]1[C@@H]2C[C@@H]3C4=C(CCN3C[C@H]2CC[C@H]1O)C1=C(OC)C=CC=C1N4
InChI: InChI=1S/C22H28N2O4/c1-27-18-5-3-4-15-19(18)13-8-9-24-11-12-6-7-17(25)20(22(26)28-2)14(12)10-16(24)21(13)23-15/h3-5,12,14,16-17,20,23,25H,6-11H2,1-2H3/t12-,14-,16-,17-,20+/m1/s1
InChIKey: WMMZYEBFJWWUJX-HQAMDYDRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia venenata | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.47600000000006
TPSA？: 74.78999999999999
MolLogP？: 2.6557000000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|