Alstiphyllanine J
AlkaPlorer ID: AK005295
Synonym: None
IUPAC Name: methyl (1R,9S,10S,12S,13Z,16S,18S)-18-acetyloxy-13-ethylidene-8-(3,4,5-trimethoxybenzoyl)-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=C/1\CN2[C@H]3C[C@@H]1C4([C@@H]2C[C@@]5([C@@H]3N(C6=CC=CC=C65)C(=O)C7=CC(=C(C(=C7)OC)OC)OC)[C@@H]4OC(=O)C)C(=O)OC
InChI: InChI=1S/C33H36N2O8/c1-7-18-16-34-23-14-21(18)33(31(38)42-6)26(34)15-32(30(33)43-17(2)36)20-10-8-9-11-22(20)35(28(23)32)29(37)19-12-24(39-3)27(41-5)25(13-19)40-4/h7-13,21,23,26,28,30H,14-16H2,1-6H3/b18-7+/t21-,23-,26-,28+,30-,32+,33?/m0/s1
InChIKey: RFEYKMMVMCHTDY-BULPEKHUSA-N
Reference
PubChem CID: 70683692
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 588.6570000000003
TPSA？: 103.84000000000002
MolLogP？: 3.5066000000000024
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Aorta | Activity | None | None | 10.1016/j.bmc.2012.04.013 |