BIAdb Daphnoline 1988
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1988 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1988 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Daphnoline 1988
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C35H36N2O6 |
| Mol. mass | 580.67014 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Daphnandra micrantha
[edit] Function
Antiparasitic
[edit] General Properties
*Molecular Weight
580.67014
*Exact Mass
580.257337
*Molecular Formula
C35H36N2O6
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)O)O)OC
*Isomeric Smiles
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6)OC)O3)O)O)OC
*XLogP
5.5
*Hydrogen bond donor
3
*Hydrogen bond acceptor
8
*Rotational Bond Count
2
*Topological Polar Surface Area
92.7
