BIAdb Ancistrocladine 1151
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1151 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1151 Link to BIAdb Database] | ||
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Current revision
| BIAdb Ancistrocladine 1151
| |
| Systematic (IUPAC) name | |
| (1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C25H29NO4 |
| Mol. mass | 407.50206 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Ancistrocladus congolensis
[edit] Function
Antimalarial
[edit] General Properties
*Molecular Weight
407.50206
*Exact Mass
407.209658
*Molecular Formula
C25H29NO4
*IUPAC NAME
(1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
*Canonical Smiles
CC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
*Isomeric Smiles
C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
*XLogP
5
*Hydrogen bond donor
2
*Hydrogen bond acceptor
5
*Rotational Bond Count
4
*Topological Polar Surface Area
60
