BIAdb Ankorine 1160
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Ankorine 1160
| |
| Systematic (IUPAC) name | |
| (2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-8-ol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C19H29NO4 |
| Mol. mass | 335.43786 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Alangium lamarckii
[edit] Function
Hypotensive
[edit] General Properties
*Molecular Weight
335.43786
*Exact Mass
335.209658
*Molecular Formula
C19H29NO4
*IUPAC NAME
(2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-8-ol
*Canonical Smiles
CCC1CN2CCC3=C(C(=C(C=C3C2CC1CCO)OC)OC)O
*Isomeric Smiles
CC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1CCO)OC)OC)O
*XLogP
2.6
*Hydrogen bond donor
2
*Hydrogen bond acceptor
5
*Rotational Bond Count
5
*Topological Polar Surface Area
62.2
