BIAdb (+)-Atherospermoline 1253
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1253 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1253 Link to BIAdb Database] | ||
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| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb (+)-Atherospermoline 1253
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C36H38N2O6 |
| Mol. mass | 594.69672 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Atherosperma moschatum
[edit] Function
Hypotensive
[edit] General Properties
*Molecular Weight
594.69672
*Exact Mass
594.272987
*Molecular Formula
C36H38N2O6
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
*Isomeric Smiles
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
*XLogP
5.7
*Hydrogen bond donor
2
*Hydrogen bond acceptor
8
*Rotational Bond Count
2
*Topological Polar Surface Area
83.9
