BIAdb Isococculidine 2306
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2306 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2306 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Isococculidine 2306
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C18H23NO2 |
| Mol. mass | 285.38072 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Cocculus laurifolius
[edit] Function
Neuromuscular blocking agent
[edit] General Properties
*Molecular Weight
285.38072
*Exact Mass
285.172879
*Molecular Formula
C18H23NO2
*IUPAC NAME
N/A
*Canonical Smiles
COC1CC23C(CCN2CCC4=C3C=C(C=C4)OC)C=C1
*Isomeric Smiles
CO[C@@H]1C[C@@]23[C@H](CCN2CCC4=C3C=C(C=C4)OC)C=C1
*XLogP
2.5
*Hydrogen bond donor
0
*Hydrogen bond acceptor
3
*Rotational Bond Count
2
*Topological Polar Surface Area
21.7
