17,18-Dihydroxyyohimban-16-carboxylic acid; Stereoisomer, O17-Me, 18-O-(2-acetamido-4,5-dimethoxybenzoyl), Me ester
AlkaPlorer ID: AK259812
Synonym: Dimethoxydesanthraserpidine
IUPAC Name: methyl 17-(2-acetamido-4,5-dimethoxybenzoyl)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(OC)=C(OC)C=C2NC(C)=O)C1OC)C1=CC=CC=C1N4
InChI: InChI=1S/C33H39N3O8/c1-17(37)34-24-15-27(41-3)26(40-2)14-22(24)32(38)44-28-12-18-16-36-11-10-20-19-8-6-7-9-23(19)35-30(20)25(36)13-21(18)29(31(28)42-4)33(39)43-5/h6-9,14-15,18,21,25,28-29,31,35H,10-13,16H2,1-5H3,(H,34,37)
InChIKey: JGRSSFAMFIGUBW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Catharanthus trichophyllus | Catharanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 605.6880000000002
TPSA？: 128.42000000000002
MolLogP？: 4.112300000000002
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|