BIAdb Corpaine 1941
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1941 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1941 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Corpaine 1941
| |
| Systematic (IUPAC) name | |
| (1S,8'S)-7,8'-dihydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H19NO6 |
| Mol. mass | 369.36796 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Corydalis majori
[edit] Function
Antiprotozoal
[edit] General Properties
*Molecular Weight
369.36796
*Exact Mass
369.121237
*Molecular Formula
C20H19NO6
*IUPAC NAME
(1S,8'S)-7,8'-dihydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
*Canonical Smiles
CN1CCC2=CC(=C(C=C2C13C(C4=C(C3=O)C=CC5=C4OCO5)O)O)OC
*Isomeric Smiles
CN1CCC2=CC(=C(C=C2[C@@]13[C@H](C4=C(C3=O)C=CC5=C4OCO5)O)O)OC
*XLogP
1.7
*Hydrogen bond donor
2
*Hydrogen bond acceptor
7
*Rotational Bond Count
1
*Topological Polar Surface Area
88.5
