BIAdb Corpaine 1941

BIAdb Corpaine 1941
Systematic (IUPAC) name
(1S,8'S)-7,8'-dihydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one
Identifiers
CAS number	?
ATC code	?
PubChem	442197
Chemical data
Formula	C₂₀H₁₉NO₆
Mol. mass	369.36796
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Corydalis majori

Antiprotozoal

*Molecular Weight

369.36796

*Exact Mass

369.121237

*Molecular Formula

C₂₀H₁₉NO₆

*IUPAC NAME

(1S,8'S)-7,8'-dihydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one

*Canonical Smiles

CN1CCC2=CC(=C(C=C2C13C(C4=C(C3=O)C=CC5=C4OCO5)O)O)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C=C2[C@@]13[C@H](C4=C(C3=O)C=CC5=C4OCO5)O)O)OC

*XLogP

1.7

*Hydrogen bond donor

2

*Hydrogen bond acceptor

7

*Rotational Bond Count

1

*Topological Polar Surface Area

88.5