19,20-Dehydro-alpha-yohimbine
AlkaPlorer ID: AK150750
Synonym: '(+/-)-19,20-Dehydro-a-yohimbine'
IUPAC Name: methyl (1S,18S,19S,20R)-18-hydroxy-1,3,11,12,14,17,18,19,20,21-decahydroyohimban-19-carboxylate
Structure
SMILES: COC(=O)[C@@H]1[C@@H](O)CC=C2CN3CCC4=C(NC5=CC=CC=C45)[C@@H]3C[C@@H]21
InChI: InChI=1S/C21H24N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-6,15,17-19,22,24H,7-11H2,1H3/t15-,17-,18-,19-/m0/s1
InChIKey: YNBUWOBJOATOHI-WNHJNPCNSA-N
Reference
Aspidosperma de Guyane: Alcaloïdes des Graines de Aspidosperma oblongum
PubChem CID: 163087500
LOTUS: LTS0269736
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma oblongum | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.434
TPSA？: 65.56
MolLogP？: 2.5672000000000006
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|