General Information of the Compound
Compound ID
CP0406746
Compound Name
MORIN PENTAMETHYL ETHER
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Structure
Formula
C19H18O7
Molecular Weight
358.346
Canonical SMILES
COc1ccc(c(OC)c1)-c1oc2cc(OC)cc(O)c2c(=O)c1OC
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InChI
InChI=1S/C19H18O7/c1-22-10-5-6-12(14(8-10)24-3)18-19(25-4)17(21)16-13(20)7-11(23-2)9-15(16)26-18/h5-9,20H,1-4H3
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InChIKey
VHQCDGLXBNYODC-UHFFFAOYSA-N
Physicochemical Property
logP
3.2
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
87.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 70686876
ChEMBL ID
CHEMBL2075017
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 = 3270 nM
   TI
   LI
   LO
   TS
2
IC50 = 3890 nM
   TI
   LI
   LO
   TS