BIAdb Coclaurine 1801
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
m (1 revision) |
(→External Links) |
||
| Line 84: | Line 84: | ||
[http://crdd.osdd.net/raghava/biadb/detail.php?id=1801 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1801 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Coclaurine 1801
| |
| Systematic (IUPAC) name | |
| (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C17H19NO3 |
| Mol. mass | 285.33766 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Stephania pierii
[edit] Function
Anti-HIV
[edit] General Properties
*Molecular Weight
285.33766
*Exact Mass
285.136493
*Molecular Formula
C17H19NO3
*IUPAC NAME
(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
*Canonical Smiles
COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O
*Isomeric Smiles
COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O
*XLogP
2.6
*Hydrogen bond donor
3
*Hydrogen bond acceptor
4
*Rotational Bond Count
3
*Topological Polar Surface Area
61.7
