Cepharadione A
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2130 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2130 Link to BIAdb Database] | ||
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Current revision
| Cepharadione A
| |
| Systematic (IUPAC) name | |
| 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline-5,6(7H)-dione, 7-methyl- | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| ChemSpider | |
| Chemical data | |
| Formula | C18H11NO4 |
| Mol. mass | 305.28424 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] Description
DNA-damaging oxoaporphine alkaloid from Piper caninum; structure in first source. Using spectroscopic analyses, a new N-containing, highly fluorescent orange-coloured compound [an aporphine alkaloid] named cepharadione A was identified in the the diethyl ether extract of P. methysticum roots.
[edit] General Properties
*Molecular Weight
305.28424
*Molecular Formula
C18H11NO4
*IUPAC NAME
5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline-5,6(7H)-dione, 7-methyl-
*Canonical Smiles
CN1C2=CC3=CC=CC=C3C4=C2C(=CC5=C4OCO5)C(=O)C1=O
*Isomeric Smiles
N/A
*XLogP
3
*Topological Polar Surface Area
55.8
