BIAdb Parfumine 2918
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Parfumine 2918
| |
| Systematic (IUPAC) name | |
| 7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H19NO5 |
| Mol. mass | 353.36856 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Fumaria officinalis
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
353.36856
*Exact Mass
353.126323
*Molecular Formula
C20H19NO5
*IUPAC NAME
7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one
*Canonical Smiles
CN1CCC2=CC(=C(C=C2C13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC
*Isomeric Smiles
N/A
*XLogP
2.8
*Hydrogen bond donor
1
*Hydrogen bond acceptor
6
*Rotational Bond Count
1
*Topological Polar Surface Area
68.2
