BIAdb Hydrastine 2285
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2285 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2285 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Hydrastine 2285
| |
| Systematic (IUPAC) name | |
| (3R)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H21NO6 |
| Mol. mass | 383.39454 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Fumaria parviflora
[edit] Function
Antiseptic
[edit] General Properties
*Molecular Weight
383.39454
*Exact Mass
383.136887
*Molecular Formula
C21H21NO6
*IUPAC NAME
(3R)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
*Canonical Smiles
CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3
*Isomeric Smiles
CN1CCC2=CC3=C(C=C2[C@@H]1[C@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3
*XLogP
2.7
*Hydrogen bond donor
0
*Hydrogen bond acceptor
7
*Rotational Bond Count
3
*Topological Polar Surface Area
66.5
