BIAdb Longifolonine 2553
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2553 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2553 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Longifolonine 2553
| |
| Systematic (IUPAC) name | |
| (7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(4-hydroxyphenyl)methanone | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C17H15NO4 |
| Mol. mass | 297.3053 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Xylopia parviflora
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
297.3053
*Exact Mass
297.100108
*Molecular Formula
C17H15NO4
*IUPAC NAME
(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(4-hydroxyphenyl)methanone
*Canonical Smiles
COC1=C(C=C2C(=C1)CCN=C2C(=O)C3=CC=C(C=C3)O)O
*Isomeric Smiles
N/A
*XLogP
2.1
*Hydrogen bond donor
2
*Hydrogen bond acceptor
5
*Rotational Bond Count
3
*Topological Polar Surface Area
79.1
