Alstiphyllanine L
AlkaPlorer ID: AK000225
Synonym: None
IUPAC Name: methyl (1R,9S,10S,12S,13Z,16S,18S)-8-(3,4-dimethoxybenzoyl)-13-ethylidene-18-hydroxy-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)[C@@H]4O)C(=O)OC
InChI: InChI=1S/C30H32N2O6/c1-5-16-15-31-21-13-19(16)30(28(35)38-4)24(31)14-29(27(30)34)18-8-6-7-9-20(18)32(25(21)29)26(33)17-10-11-22(36-2)23(12-17)37-3/h5-12,19,21,24-25,27,34H,13-15H2,1-4H3/b16-5+/t19-,21-,24-,25+,27-,29+,30?/m0/s1
InChIKey: UPIGIQGRCRWGHO-YUDHSGNGSA-N
Reference
PubChem CID: 70696309
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 516.5940000000003
TPSA？: 88.54
MolLogP？: 2.927200000000001
Number of H-Donors: 1
Number of H-Acceptors: 7
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 |