BIAdb Adiantifoline 1090

From DrugPedia: A Wikipedia for Drug discovery

Revision as of 00:00, 15 January 2001 (edit) Special:Contributions/ (Talk) m ← Previous diff

Revision as of 10:46, 20 November 2009 (edit) (undo) Raghavagps (Talk | contribs) m (1 revision) Next diff →

---

Revision as of 10:46, 20 November 2009

Show 3-D Structure

Show 2-D Structure

BIAdb Adiantifoline 1090
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	167937
Chemical data
Formula	C42H50N2O9
Mol. mass	726.8544
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

Thalictrum honanense

Function

Hypotensive

General Properties

*Molecular Weight

726.8544

*Exact Mass

726.351631

*Molecular Formula

C₄₂H₅₀N₂O₉

*IUPAC NAME

N/A

*Canonical Smiles

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

*Isomeric Smiles

CN1CCC2=C(C(=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)OC

*XLogP

6.6

*Hydrogen bond donor

0

*Hydrogen bond acceptor

11

*Rotational Bond Count

12

*Topological Polar Surface Area

89.6

External Links

• Pubchem

• KEGG

Link to BIAdb Database