BIAdb Rhoeadine 3089

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Revision as of 11:28, 20 November 2009

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BIAdb Rhoeadine 3089
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	197775
Chemical data
Formula	C21H21NO6
Mol. mass	383.39454
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

Papaver dubium

Function

Cytotoxic

General Properties

*Molecular Weight

383.39454

*Exact Mass

383.136887

*Molecular Formula

C₂₁H₂₁NO₆

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3

*Isomeric Smiles

CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3

*XLogP

2.4

*Hydrogen bond donor

0

*Hydrogen bond acceptor

7

*Rotational Bond Count

1

*Topological Polar Surface Area

58.6

External Links

• Pubchem

• KEGG

Link to BIAdb Database