BIAdb Xylopine 3481
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3481 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3481 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Xylopine 3481
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C18H17NO3 |
| Mol. mass | 295.33248 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Xylopia papuana
[edit] Function
Leishmanicidal
[edit] General Properties
*Molecular Weight
295.33248
*Exact Mass
295.120843
*Molecular Formula
C18H17NO3
*IUPAC NAME
N/A
*Canonical Smiles
COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5
*Isomeric Smiles
COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
*XLogP
2.8
*Hydrogen bond donor
1
*Hydrogen bond acceptor
4
*Rotational Bond Count
1
*Topological Polar Surface Area
39.7
