10-Methoxy-alpha-yohimbine
AlkaPlorer ID: AK018150
Synonym: '', '10-Methoxy-17-epi-alloyohimbine', '10-Methoxy-beta-yohimbine', 'Excelsinine', 'Aspexcine', '10-Methoxy-17-epialloyohimbine'
IUPAC Name: methyl (1S,15S,18S,19S,20R)-18-hydroxy-7-methoxy-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]1O)C1=CC(OC)=CC=C1N4
InChI: InChI=1S/C22H28N2O4/c1-27-13-4-5-17-16(9-13)14-7-8-24-11-12-3-6-19(25)20(22(26)28-2)15(12)10-18(24)21(14)23-17/h4-5,9,12,15,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,15-,18+,19+,20+/m1/s1
InChIKey: NXFSMEXZBFREEO-NKTDOJBFSA-N
Reference
Aspidosperma de Guyane: Alcaloïdes des Graines de Aspidosperma oblongum
PubChem CID: 163065732
LOTUS: LTS0195046
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspidosperma oblongum | Aspidosperma | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.47600000000006
TPSA？: 74.78999999999999
MolLogP？: 2.6557000000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|