General Information of the Compound
Compound ID
CP0083084
Compound Name
2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4-one
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Synonyms
2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4H-chromen-4-one
2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-4h-chromen-4-on
2-(3,4-dihydroxyphenyl)-7,8-dihydroxychromen-4-one
3',4',7,8-Tetrahydroxyflavone
3440-24-2
7,8,3'',4''-tetrahydroxyflavone
7,8,3',4'-tetrahydroxyflavone
AC1LEMTC
AC1Q6AJ1
ACM3440242
AKOS024283046
ARYCMKPCDNHQCL-UHFFFAOYSA-N
BDBM50157547
C-57754
CHEBI:125596
CHEMBL222541
CTK4H2335
DB-048618
DTXSID20350973
FT-0614178
MCULE-5496936655
SCHEMBL35318
ST059620
ZB002260
ZINC57844
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Structure
Formula
C15H10O6
Molecular Weight
286.239
Canonical SMILES
Oc1ccc(cc1O)-c1cc(=O)c2ccc(O)c(O)c2o1
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InChI
InChI=1S/C15H10O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-6,16-17,19-20H
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InChIKey
ARYCMKPCDNHQCL-UHFFFAOYSA-N
CAS
3440-24-2
Physicochemical Property
logP
2.2824
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
111.13
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
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: 688798
SID: 14922301
ChEMBL ID
CHEMBL222541
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: PT01466, Telomerase reverse transcriptase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 230 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 250 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 740 nM
Clinical Information about the Compound
Drug 1 ( 7,8,3',4'-tetrahydroxyflavone )
Drug Name 7,8,3',4'-tetrahydroxyflavone
Target(s)
TERT messenger RNA (TERT mRNA)
 Target Info 
Inhibitor