BIAdb Capaurine 1686

BIAdb Capaurine 1686
Systematic (IUPAC) name
(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol
Identifiers
CAS number	?
ATC code	?
PubChem	94149
Chemical data
Formula	C₂₁H₂₅NO₅
Mol. mass	371.4269
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Stephania lincangensis

Uterine stimulant

*Molecular Weight

371.4269

*Exact Mass

371.173273

*Molecular Formula

C₂₁H₂₅NO₅

*IUPAC NAME

(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol

*Canonical Smiles

COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC

*Isomeric Smiles

COC1=C(C2=C(C[C@H]3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC

*XLogP

2.9

*Hydrogen bond donor

1

*Hydrogen bond acceptor

6

*Rotational Bond Count

4

*Topological Polar Surface Area

60.4