ajmalin
AlkaPlorer ID: AK354681
Synonym: None
IUPAC Name: (1R,9R,10S,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Structure
SMILES: CC[C@H]1C2C[C@H]3[C@@H]4N(C)C5=CC=CC=C5[C@]45C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O
InChI: InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11?,14-,15-,16-,17-,18+,19+,20+/m0/s1
InChIKey: CJDRUOGAGYHKKD-GCVCUWSRSA-N
Reference
Alcaloïdes de Melodinus balansae var. paucivenosus
PubChem CID: 73951955
LOTUS: LTS0053630
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia sellowii | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 326.44
TPSA？: 46.94
MolLogP？: 1.5545
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|