Venalstonidine
AlkaPlorer ID: AK002076
Synonym: None
IUPAC Name: methyl (1S,2R,4S,17R,18R,22R)-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate
Structure
SMILES: COC(=O)[C@@H]1C[C@@]23CC[C@]14C5([C@H]2N(CC5)C[C@H]6[C@@H]3O6)C7=CC=CC=C7N4
InChI: InChI=1S/C21H24N2O3/c1-25-17(24)13-10-19-6-7-21(13)20(12-4-2-3-5-14(12)22-21)8-9-23(18(19)20)11-15-16(19)26-15/h2-5,13,15-16,18,22H,6-11H2,1H3/t13-,15-,16-,18-,19+,20?,21+/m0/s1
InChIKey: PKVIZXKEMISSGB-JDGDXTPDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melodinus cochinchinensis | Melodinus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.434
TPSA？: 54.1
MolLogP？: 1.9170999999999994
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|