BIAdb Pessoine 2930

BIAdb Pessoine 2930
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	181940
Chemical data
Formula	C₁₈H₁₉NO₄
Mol. mass	313.34776
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Annona spinescens

Leishmanicidal

*Molecular Weight

313.34776

*Exact Mass

313.131408

*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

2.3

*Hydrogen bond donor

3

*Hydrogen bond acceptor

5

*Rotational Bond Count

1

*Topological Polar Surface Area

73.2