BIAdb Lophophorine 2556
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2556 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2556 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Lophophorine 2556
| |
| Systematic (IUPAC) name | |
| (9S)-4-methoxy-8,9-dimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinoline | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C13H17NO3 |
| Mol. mass | 235.27898 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Lophophora williamsii
[edit] Function
Convulsions
[edit] General Properties
*Molecular Weight
235.27898
*Exact Mass
235.120843
*Molecular Formula
C13H17NO3
*IUPAC NAME
(9S)-4-methoxy-8,9-dimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinoline
*Canonical Smiles
CC1C2=C3C(=C(C=C2CCN1C)OC)OCO3
*Isomeric Smiles
C[C@H]1C2=C3C(=C(C=C2CCN1C)OC)OCO3
*XLogP
2
*Hydrogen bond donor
0
*Hydrogen bond acceptor
4
*Rotational Bond Count
1
*Topological Polar Surface Area
30.9
