BIAdb Xylopinine 3502
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3502 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3502 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Xylopinine 3502
| |
| Systematic (IUPAC) name | |
| (13aS)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H25NO4 |
| Mol. mass | 355.4275 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Xylopia buxifolia
[edit] Function
Adrenergic alpha-blocker
[edit] General Properties
*Molecular Weight
355.4275
*Exact Mass
355.178358
*Molecular Formula
C21H25NO4
*IUPAC NAME
(13aS)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
*Canonical Smiles
COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC
*Isomeric Smiles
COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC
*XLogP
3.2
*Hydrogen bond donor
0
*Hydrogen bond acceptor
5
*Rotational Bond Count
4
*Topological Polar Surface Area
40.2
