General Information of the Compound
Compound ID
CP0500657
Compound Name
FISETIN TETRAMETHYL ETHER
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Structure
Formula
C19H18O6
Molecular Weight
342.347
Canonical SMILES
COc1ccc2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O
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InChI
InChI=1S/C19H18O6/c1-21-12-6-7-13-15(10-12)25-18(19(24-4)17(13)20)11-5-8-14(22-2)16(9-11)23-3/h5-10H,1-4H3
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InChIKey
NAMFTZBUZYVNST-UHFFFAOYSA-N
Physicochemical Property
logP
3.4944
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
67.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 631171
ChEMBL ID
CHEMBL575808
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000036 MDCK-II Canis lupus familiaris (Dog)  2
1
IC50 = 1180 nM
   TI
   LI
   LO
   TS
2
IC50 = 2140 nM
   TI
   LI
   LO
   TS