BIAdb Bebeerine 1259

BIAdb Bebeerine 1259
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	12300019
Chemical data
Formula	C₃₆H₃₈N₂O₆
Mol. mass	594.69672
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Buxus sempervirens

Antimalarial

*Molecular Weight

594.69672

*Exact Mass

594.272987

*Molecular Formula

C₃₆H₃₈N₂O₆

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC

*Isomeric Smiles

CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC

*XLogP

6

*Hydrogen bond donor

2

*Hydrogen bond acceptor

8

*Rotational Bond Count

2

*Topological Polar Surface Area

83.9