BIAdb Ukrain 3457

From DrugPedia: A Wikipedia for Drug discovery

Show 3-D Structure

Show 2-D Structure

BIAdb Ukrain 3457
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	160027
Chemical data
Formula	C66H75N6O18PS
Mol. mass	1303.369861
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

Chelidonium majus

Function

Anticancer

General Properties

*Molecular Weight

1303.369861

*Exact Mass

1302.459617

*Molecular Formula

C₆₆H₇₅N₆O₁₈PS

*IUPAC NAME

N/A

*Canonical Smiles

C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2CC1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1CC2O)OCO3)C.[OH-].[OH-].[OH-]

*Isomeric Smiles

C[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)[C@@H]1[C@H]7C2=CC3=C(C=C2C[C@@H]1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]2[C@H]1C1=CC3=C(C=C1C[C@@H]2O)OCO3)C.[OH-].[OH-].[OH-]

*XLogP

N/A

*Hydrogen bond donor

9

*Hydrogen bond acceptor

21

*Rotational Bond Count

12

*Topological Polar Surface Area

211

External Links

• Pubchem

Link to BIAdb Database