BIAdb Capaurine 1681
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Capaurine 1681
| |
| Systematic (IUPAC) name | |
| (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H25NO5 |
| Mol. mass | 371.4269 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Anomianthus dulcis
[edit] Function
Uterine stimulant
[edit] General Properties
*Molecular Weight
371.4269
*Exact Mass
371.173273
*Molecular Formula
C21H25NO5
*IUPAC NAME
(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol
*Canonical Smiles
COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
*Isomeric Smiles
COC1=C(C2=C(C[C@H]3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
*XLogP
2.9
*Hydrogen bond donor
1
*Hydrogen bond acceptor
6
*Rotational Bond Count
4
*Topological Polar Surface Area
60.4
