Alstiphyllanine E
AlkaPlorer ID: AK058476
Synonym: None
IUPAC Name: methyl (1R,9S,11S,14E,15S,17S,19R)-19-[(3,4-dimethoxybenzoyl)oxymethyl]-14-ethylidene-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=C(OC)C(OC)=C1)C(=O)OC
InChI: InChI=1S/C30H32N2O7/c1-5-17-15-32-24-13-20(17)28(27(34)37-4,16-38-26(33)18-10-11-22(35-2)23(12-18)36-3)29-14-25(32)39-30(24,29)31-21-9-7-6-8-19(21)29/h5-12,20,24-25,31H,13-16H2,1-4H3/b17-5-/t20-,24-,25-,28-,29-,30-/m0/s1
InChIKey: NPAPHJSGCRCHBM-UMLFCLJTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 532.5930000000003
TPSA？: 95.56000000000002
MolLogP？: 3.4902000000000024
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Sodium/glucose cotransporter 1 | IC50 | 44000.0 | nM | 10.1016/j.bmc.2010.01.077 |
| Homo sapiens | Sodium/glucose cotransporter 1 | Inhibition | 60.3 | % | 10.1016/j.bmc.2010.01.077 |
| Homo sapiens | Sodium/glucose cotransporter 2 | IC50 | 40000.0 | nM | 10.1016/j.bmc.2010.01.077 |
| Homo sapiens | Sodium/glucose cotransporter 2 | Inhibition | 85.9 | % | 10.1016/j.bmc.2010.01.077 |