General Information of the Compound
Compound ID
CP0186353
Compound Name
(+/-)-5-hydroxy-7-methoxyflavanone
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Structure
Formula
C16H14O4
Molecular Weight
270.284
Canonical SMILES
COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1
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InChI
InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1
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InChIKey
ORJDDOBAOGKRJV-AWEZNQCLSA-N
CAS
480-37-5
Physicochemical Property
logP
3.1073
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
55.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 73201
SID: 16933974
ChEMBL ID
CHEMBL254613
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
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 8900 nM
   TI
   LI
   LO
   TS
CL000756 MCF/MX Homo sapiens (Human)  1
1
IC50 = 31000 nM
   TI
   LI
   LO
   TS