BIAdb (R)-N-Methylcoclaurine 3105
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3105 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3105 Link to BIAdb Database] | ||
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Current revision
| BIAdb (R)-N-Methylcoclaurine 3105
| |
| Systematic (IUPAC) name | |
| (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C18H21NO3 |
| Mol. mass | 299.36424 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Cyclea barbata
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
299.36424
*Exact Mass
299.152144
*Molecular Formula
C18H21NO3
*IUPAC NAME
(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
*Canonical Smiles
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC
*Isomeric Smiles
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)O)OC
*XLogP
3
*Hydrogen bond donor
2
*Hydrogen bond acceptor
4
*Rotational Bond Count
3
*Topological Polar Surface Area
52.9
