BIAdb Cularine 1969
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1969 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1969 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Cularine 1969
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H23NO4 |
| Mol. mass | 341.40092 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Ceratocapnos palaestinus
[edit] Function
Relaxant
[edit] General Properties
*Molecular Weight
341.40092
*Exact Mass
341.162708
*Molecular Formula
C20H23NO4
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=C3C1CC4=CC(=C(C=C4OC3=C(C=C2)OC)OC)OC
*Isomeric Smiles
CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4OC3=C(C=C2)OC)OC)OC
*XLogP
3.3
*Hydrogen bond donor
0
*Hydrogen bond acceptor
5
*Rotational Bond Count
3
*Topological Polar Surface Area
40.2
