General Information of the Compound
Compound ID
CP0471583
Compound Name
2-(3-hydroxyphenyl)furo[2,3-h]chromen-4-one
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Structure
Formula
C17H10O4
Molecular Weight
278.263
Canonical SMILES
Oc1cccc(c1)-c1cc(=O)c2ccc3occc3c2o1
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InChI
InChI=1S/C17H10O4/c18-11-3-1-2-10(8-11)16-9-14(19)12-4-5-15-13(6-7-20-15)17(12)21-16/h1-9,18H
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InChIKey
DPEBAAUPCCEJDT-UHFFFAOYSA-N
Physicochemical Property
logP
3.9118
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
63.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 11054992
SID: 16121678
ChEMBL ID
CHEMBL4763663
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: PT02204, Cytochrome P450 1A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 240 nM
   TI
   LI
   LO
   TS
Protein ID: PT02205, Cytochrome P450 1B1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1200 nM
   TI
   LI
   LO
   TS