Alstiphyllanine N
AlkaPlorer ID: AK005919
Synonym: None
IUPAC Name: methyl (1R,9S,10S,12S,13Z,16S,18S)-8-benzoyl-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=CC=C7)[C@@H]4O)C(=O)OC
InChI: InChI=1S/C28H28N2O4/c1-3-16-15-29-21-13-19(16)28(26(33)34-2)22(29)14-27(25(28)32)18-11-7-8-12-20(18)30(23(21)27)24(31)17-9-5-4-6-10-17/h3-12,19,21-23,25,32H,13-15H2,1-2H3/b16-3+/t19-,21-,22-,23+,25-,27+,28?/m0/s1
InChIKey: RWWHZFXLVFCMBJ-KWNAZNSVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 456.5420000000002
TPSA？: 70.08
MolLogP？: 2.910000000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
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 |