O-Acetylalloyohimbine
AlkaPlorer ID: AK128833
Synonym: 'Yohimbine acetate', 'Alloyohimbine acetate', 'Yohimbine 17-O-acetate', 'O-Acetylyohimbine'
IUPAC Name: methyl (1S,15R,18S,19R,20R)-18-acetyloxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Structure
SMILES: COC(=O)[C@@H]1[C@@H]2C[C@H]3C4=C(CCN3C[C@@H]2CC[C@@H]1OC(C)=O)C1=CC=CC=C1N4
InChI: InChI=1S/C23H28N2O4/c1-13(26)29-20-8-7-14-12-25-10-9-16-15-5-3-4-6-18(15)24-22(16)19(25)11-17(14)21(20)23(27)28-2/h3-6,14,17,19-21,24H,7-12H2,1-2H3/t14-,17+,19-,20-,21+/m0/s1
InChIKey: AVICMXMDDSGUEL-XPVMQVPNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma excelsum | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 396.4870000000001
TPSA？: 71.63
MolLogP？: 3.217900000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|