Cepharadione A
From DrugPedia: A Wikipedia for Drug discovery
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{{Drugbox | {{Drugbox | ||
| - | | IUPAC_name = | + | | IUPAC_name =5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline-5,6(7H)-dione, 7-methyl- |
| PubChem = 94577 | | PubChem = 94577 | ||
| + | |CAS number = 55610-01-0 | ||
| DrugBank = | | DrugBank = | ||
| - | | ChemSpiderID = | + | | ChemSpiderID = 85344 |
| chemical_formula =C<sub>1</sub><sub>8</sub>H<sub>1</sub><sub>1</sub>NO<sub>4</sub> | | chemical_formula =C<sub>1</sub><sub>8</sub>H<sub>1</sub><sub>1</sub>NO<sub>4</sub> | ||
| molecular_weight = 305.28424 | | molecular_weight = 305.28424 | ||
| Line 24: | Line 25: | ||
==Description== | ==Description== | ||
| - | DNA-damaging oxoaporphine alkaloid from Piper caninum; structure in first source | + | 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. | ||
==General Properties== | ==General Properties== | ||
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<b>*IUPAC NAME</b> | <b>*IUPAC NAME</b> | ||
| - | + | 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline-5,6(7H)-dione, 7-methyl- | |
<b>*Canonical Smiles</b> | <b>*Canonical Smiles</b> | ||
| Line 60: | Line 62: | ||
[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] | ||
| + | [[Category:BIAdb_old]] | ||
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
