None
AlkaPlorer ID: AK318390
Synonym: None
IUPAC Name: methyl (1R,9S,11S,14Z,15S,17S,19R)-14-ethylidene-19-[(3,4,5-trimethoxybenzoyl)oxymethyl]-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
Structure
SMILES: C/C=C1\CN2[C@@H]3C[C@@]45C6=CC=CC=C6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@]5(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)C(=O)OC
InChI: InChI=1S/C31H34N2O8/c1-6-17-15-33-24-13-20(17)29(28(35)39-5,16-40-27(34)18-11-22(36-2)26(38-4)23(12-18)37-3)30-14-25(33)41-31(24,30)32-21-10-8-7-9-19(21)30/h6-12,20,24-25,32H,13-16H2,1-5H3/b17-6+/t20-,24-,25-,29-,30-,31-/m0/s1
InChIKey: CLCDMQIWPVOTMQ-RKJOYVLNSA-N
Reference
Indole Alkaloids from the Leaves of Alstonia villosa in Sunbawa (Alstonia 6).
PubChem CID: 15837283
LOTUS: LTS0067091
NPASS: NPC113455
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 562.6190000000004
TPSA？: 104.79
MolLogP？: 3.498800000000003
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Sodium/glucose cotransporter 1 | IC50 | 50000.0 | nM | 10.1016/j.bmc.2010.01.077 |
| Homo sapiens | Sodium/glucose cotransporter 1 | Inhibition | 53.0 | % | 10.1016/j.bmc.2010.01.077 |
| Homo sapiens | Sodium/glucose cotransporter 2 | IC50 | 35000.0 | nM | 10.1016/j.bmc.2010.01.077 |
| Homo sapiens | Sodium/glucose cotransporter 2 | Inhibition | 87.3 | % | 10.1016/j.bmc.2010.01.077 |