Pessoine
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
Revision as of 00:00, 15 January 2001
| Pessoine
| |
| Systematic (IUPAC) name | |
| (13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C18H19NO4 |
| Mol. mass | 313.34776 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Description
a catecholic berbine; isolated from Annona spinescens; structure given in first source
General Properties
*Molecular Weight
313.34776
*Molecular Formula
C18H19NO4
*IUPAC NAME
(13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol
*Canonical Smiles
COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O
*Isomeric Smiles
COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O
*XLogP
1.6
*Topological Polar Surface Area
73.2
