Deserpidine
AlkaPlorer ID: AK294904
Synonym: 11-Demethoxyreserpine, Canescine, Harmonyl, Raunormine, Recanescine, Reserpidine, Lilly 22641
IUPAC Name: methyl 18-methoxy-17-(3,4,5-trimethoxybenzoyl)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)C2=CC(OC)=C(OC)C(OC)=C2)C1OC)C1=CC=CC=C1N4
InChI: InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3
InChIKey: CVBMAZKKCSYWQR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Ochrosia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Tonduzia longifolia | Tonduzia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 578.6620000000003
TPSA？: 108.55
MolLogP？: 4.162500000000003
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero C1008 | CC50 | 11500.0 | nM | 10.6019/CHEMBL4651402 |
| Chlorocebus sabaeus | Vero C1008 | pCC50 | 4.94 | None | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 25100.0 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 25118.86 | nM | 10.6019/CHEMBL4651402 |