BIAdb Chelirubine 1739
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1739 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1739 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Chelirubine 1739
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H16NO5+ |
| Mol. mass | 362.35544 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Stylophorum lasiocarpum
[edit] Function
Nematocidal
[edit] General Properties
*Molecular Weight
362.35544
*Exact Mass
362.102848
*Molecular Formula
C21H16NO5+
*IUPAC NAME
N/A
*Canonical Smiles
C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3
*Isomeric Smiles
N/A
*XLogP
4.4
*Hydrogen bond donor
0
*Hydrogen bond acceptor
5
*Rotational Bond Count
1
*Topological Polar Surface Area
50
