Alstiphyllanine D
AlkaPlorer ID: AK118547
Synonym: None
IUPAC Name: methyl (1R,9S,11S,14E,15S,17S,19R)-14-ethylidene-6-methoxy-2-methyl-19-[(3,4,5-trimethoxybenzoyl)oxymethyl]-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate
Structure
SMILES: C/C=C1/CN2[C@@H]3C[C@@]45C6=CC(OC)=CC=C6N(C)[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/C33H38N2O9/c1-8-18-16-35-26-14-21(18)31(30(37)42-7,17-43-29(36)19-11-24(39-4)28(41-6)25(12-19)40-5)32-15-27(35)44-33(26,32)34(2)23-10-9-20(38-3)13-22(23)32/h8-13,21,26-27H,14-17H2,1-7H3/b18-8-/t21-,26-,27-,31-,32-,33-/m0/s1
InChIKey: JIGZBLWURVFVNC-MPYFAWNJSA-N
Reference
Alstiphyllanines A−D, Indole Alkaloids from <i>Alstonia macrophylla</i>
PubChem CID: 45269680
LOTUS: LTS0268333
NPASS: NPC304837
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 606.6720000000004
TPSA？: 105.23
MolLogP？: 3.5317000000000025
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 25.0 | ug.mL-1 | 10.1021/np8007107 |
| Homo sapiens | Sodium/glucose cotransporter 1 | IC50 | 5000.0 | nM | 10.1016/j.bmc.2010.01.077 |
| Homo sapiens | Sodium/glucose cotransporter 1 | Inhibition | 89.9 | % | 10.1016/j.bmc.2010.01.077 |
| Homo sapiens | Sodium/glucose cotransporter 2 | IC50 | 2000.0 | nM | 10.1016/j.bmc.2010.01.077 |
| Homo sapiens | Sodium/glucose cotransporter 2 | Inhibition | 101.4 | % | 10.1016/j.bmc.2010.01.077 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2.75 | ug.mL-1 | 10.1021/np8007107 |
| Rattus norvegicus | Aorta | Activity | 42.0 | % | 10.1021/np8007107 |