BIAdb Thalicarpine 3386

BIAdb Thalicarpine 3386
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	21470
Chemical data
Formula	C₄₁H₄₈N₂O₈
Mol. mass	696.82842
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Thalictrum polygamum

Antimicrobial

*Molecular Weight

696.82842

*Exact Mass

696.341067

*Molecular Formula

C₄₁H₄₈N₂O₈

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC

*XLogP

6.7

*Hydrogen bond donor

0

*Hydrogen bond acceptor

10

*Rotational Bond Count

11

*Topological Polar Surface Area

80.3