BIAdb (S)-Scoulerine 3242

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	439654
Chemical data
Formula	C₁₉H₂₁NO₄
Mol. mass	327.37434
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Fumaris vaillantii

Unknown

*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