BIAdb (S)-Scoulerine 3250
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(Difference between revisions)
Revision as of 00:00, 15 January 2001
BIAdb (S)-Scoulerine 3250
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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 |
Description
Source
Papaver pinnatifidum
Function
Unknown
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