BIAdb Ochotensine 2852
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2852 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2852 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Ochotensine 2852
| |
| Systematic (IUPAC) name | |
| 7-methoxy-2-methyl-6'-methylidenespiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6-ol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H21NO4 |
| Mol. mass | 351.39574 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Corydalis thyrsiflora
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
351.39574
*Exact Mass
351.147058
*Molecular Formula
C21H21NO4
*IUPAC NAME
7-methoxy-2-methyl-6'-methylidenespiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6-ol
*Canonical Smiles
CN1CCC2=CC(=C(C=C2C13CC4=C(C3=C)C=CC5=C4OCO5)OC)O
*Isomeric Smiles
N/A
*XLogP
3.2
*Hydrogen bond donor
1
*Hydrogen bond acceptor
5
*Rotational Bond Count
1
*Topological Polar Surface Area
51.2
