Alstiphyllanine O
AlkaPlorer ID: AK001097
Synonym: None
IUPAC Name: methyl (1R,9S,10S,12S,13E,16S,18S)-13-ethylidene-18-hydroxy-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]4O)C(=O)OC
InChI: InChI=1S/C31H34N2O7/c1-6-16-15-32-21-13-19(16)31(29(36)40-5)24(32)14-30(28(31)35)18-9-7-8-10-20(18)33(26(21)30)27(34)17-11-22(37-2)25(39-4)23(12-17)38-3/h6-12,19,21,24,26,28,35H,13-15H2,1-5H3/b16-6-/t19-,21-,24-,26+,28-,30+,31?/m0/s1
InChIKey: PRKMIRDXQCIYQP-KBQXNZNBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 546.6200000000003
TPSA？: 97.77000000000002
MolLogP？: 2.9358000000000013
Number of H-Donors: 1
Number of H-Acceptors: 8
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 |