17,18-Dihydroxyyohimban-16-carboxylic acid; 3,16,18-Triepimer, 18-O-(3,4,5-trimethoxybenzoyl), Me ester
AlkaPlorer ID: AK296483
Synonym: Raunescine
IUPAC Name: methyl 18-hydroxy-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)C1C(O)C(OC(=O)C2=CC(OC)=C(OC)C(OC)=C2)CC2CN3CCC4=C(NC5=CC=CC=C45)C3CC21
InChI: InChI=1S/C31H36N2O8/c1-37-24-11-16(12-25(38-2)29(24)39-3)30(35)41-23-13-17-15-33-10-9-19-18-7-5-6-8-21(18)32-27(19)22(33)14-20(17)26(28(23)34)31(36)40-4/h5-8,11-12,17,20,22-23,26,28,32,34H,9-10,13-15H2,1-4H3
InChIKey: UGMYHMZSPHJQHL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 564.6350000000002
TPSA？: 119.55
MolLogP？: 3.5084000000000017
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|