17,18-Dihydroxyyohimban-16-carboxylic acid; Stereoisomer, O17-Me, 18-O-(2-acetamidobenzoyl), Me ester
AlkaPlorer ID: AK246844
Synonym: Desanthraserpidine
IUPAC Name: methyl 17-(2-acetamidobenzoyl)oxy-18-methoxy-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=CC=C2NC(C)=O)C1OC)C1=CC=CC=C1N4
InChI: InChI=1S/C31H35N3O6/c1-17(35)32-24-11-7-5-9-21(24)30(36)40-26-14-18-16-34-13-12-20-19-8-4-6-10-23(19)33-28(20)25(34)15-22(18)27(29(26)38-2)31(37)39-3/h4-11,18,22,25-27,29,33H,12-16H2,1-3H3,(H,32,35)
InChIKey: YGWXKTJSVCTQAJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catharanthus trichophyllus | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 545.6360000000002
TPSA？: 109.96
MolLogP？: 4.095100000000002
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|