Reserpic acid; O17-De-Me, 18-O-(2-acetamidobenzoyl), Me ester
AlkaPlorer ID: AK253261
Synonym: Pseudoanthraserpine
IUPAC Name: methyl 17-(2-acetamidobenzoyl)oxy-18-hydroxy-6-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Structure
SMILES: COC(=O)C1C(O)C(OC(=O)C2=CC=CC=C2NC(C)=O)CC2CN3CCC4=C(NC5=CC(OC)=CC=C45)C3CC21
InChI: InChI=1S/C31H35N3O7/c1-16(35)32-23-7-5-4-6-21(23)30(37)41-26-12-17-15-34-11-10-20-19-9-8-18(39-2)13-24(19)33-28(20)25(34)14-22(17)27(29(26)36)31(38)40-3/h4-9,13,17,22,25-27,29,33,36H,10-12,14-15H2,1-3H3,(H,32,35)
InChIKey: MCWZFHUTIWENCO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catharanthus trichophyllus | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 561.6350000000003
TPSA？: 130.19
MolLogP？: 3.4496
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|