Reserpic acid; O-(3,4,5-Trimethoxycinnamoyl), Me ester
AlkaPlorer ID: AK312328
Synonym: Rescinnamine, Reserpinine, Anaprel, Apoterin, Cinnaloid, Rescaloid, Moderil, Scinnamina, Many other names
IUPAC Name: methyl 6,18-dimethoxy-17-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Structure
SMILES: COC(=O)C1C2CC3C4=C(CCN3CC2CC(OC(=O)/C=C/C2=CC(OC)=C(OC)C(OC)=C2)C1OC)C1=CC=C(OC)C=C1N4
InChI: InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+
InChIKey: SZLZWPPUNLXJEA-JXMROGBWSA-N
Reference
Alkaloids of the roots of Vinca major introduced into Georgia
PubChem CID: 5353923
CAS: 84-34-4
LOTUS: LTS0129950
NPASS: NPC66363
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia vomitoria | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Rauvolfia nitida | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Rauvolfia serpentina | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 634.7260000000001
TPSA？: 117.78
MolLogP？: 4.570700000000004
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero C1008 | CC50 | 5500.0 | nM | 10.6019/CHEMBL4651402 |
| Chlorocebus sabaeus | Vero C1008 | pCC50 | 5.26 | None | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 50100.0 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 50118.72 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 100000.0 | nM | 10.6019/CHEMBL4651402 |