Vincamajine 17-O-veratrate
AlkaPlorer ID: AK109806
Synonym: ''
IUPAC Name: methyl (1R,9S,10S,12S,13Z,16S,17S)-18-(3,4-dimethoxybenzoyl)oxy-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
Structure
SMILES: C/C=C1\CN2[C@H]3C[C@@]45C6=CC=CC=C6N(C)[C@@H]4[C@@H]2C[C@@H]1[C@@]3(C(=O)OC)C5OC(=O)C1=CC=C(OC)C(OC)=C1
InChI: InChI=1S/C31H34N2O6/c1-6-17-16-33-22-14-20(17)31(29(35)38-5)25(33)15-30(19-9-7-8-10-21(19)32(2)26(22)30)28(31)39-27(34)18-11-12-23(36-3)24(13-18)37-4/h6-13,20,22,25-26,28H,14-16H2,1-5H3/b17-6+/t20-,22-,25-,26+,28?,30+,31-/m0/s1
InChIKey: BKIZFGGUZGQTJG-TZHCGFCMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 530.6210000000003
TPSA？: 77.54
MolLogP？: 3.5813000000000024
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Sodium/glucose cotransporter 1 | Inhibition | 26.0 | % | 10.1016/j.bmc.2010.01.077 |
| Homo sapiens | Sodium/glucose cotransporter 2 | Inhibition | 44.0 | % | 10.1016/j.bmc.2010.01.077 |
| Rattus norvegicus | Aorta | Activity | nan | None | 10.1016/j.bmc.2012.04.013 |