General Information of the Compound
Compound ID
CP0845163
Compound Name
5,7-Dihydroxy-2-phenyl-6-propoxy-chromen-4-one
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Structure
Formula
C18H16O5
Molecular Weight
312.321
Canonical SMILES
CCCOc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
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InChI
InChI=1S/C18H16O5/c1-2-8-22-18-13(20)10-15-16(17(18)21)12(19)9-14(23-15)11-6-4-3-5-7-11/h3-7,9-10,20-21H,2,8H2,1H3
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InChIKey
JWSLMTTWXZQFFR-UHFFFAOYSA-N
Physicochemical Property
logP
3.66
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
79.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 11771358
SID: 16880462
ChEMBL ID
CHEMBL186490
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: PT06362, Cyclic AMP-responsive element-binding protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
AC50 = 1700 nM
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   LI
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000220 KB Homo sapiens (Human)  1
1
IC50 = 58900 nM
   TI
   LI
   LO
   TS