BIAdb (S)-Scoulerine 3242
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3242 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3242 Link to BIAdb Database] | ||
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Current revision
| BIAdb (S)-Scoulerine 3242
| |
| Systematic (IUPAC) name | |
| (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C19H21NO4 |
| Mol. mass | 327.37434 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Fumaris vaillantii
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
327.37434
*Exact Mass
327.147058
*Molecular Formula
C19H21NO4
*IUPAC NAME
(13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
*Canonical Smiles
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O
*Isomeric Smiles
COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O
*XLogP
2.6
*Hydrogen bond donor
2
*Hydrogen bond acceptor
5
*Rotational Bond Count
2
*Topological Polar Surface Area
62.2
