General Information of the Compound
Compound ID
CP0387533
Compound Name
6-Hydroxyflavanone
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Synonyms
(+/-)-6-Hydroxyflavanone
4250-77-5
4H-1-Benzopyran-4-one, 2,3-dihydro-6-hydroxy-2-phenyl-
6 - Hydroxyflavanone
6-Hydroxy-Flavanone
6-Hydroxyflavanone
6-Hydroxyflavanone, 99%
6-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one
6-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
6-hydroxy-2-phenyl-chroman-4-one
6-hydroxy-2-phenylchroman-4-one
AC1MC1GQ
ACMC-209jpu
C14221
CHEBI:34471
CHEMBL195033
Flavanone, 6-hydroxy-
MFCD00017485
Maybridge3_000570
Oprea1_761592
SCHEMBL126598
XYHWPQUEOOBIOW-UHFFFAOYSA-N
bmse000985
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Structure
Formula
C15H12O3
Molecular Weight
240.258
Canonical SMILES
Oc1ccc2OC(CC(=O)c2c1)c1ccccc1
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InChI
InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2
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InChIKey
XYHWPQUEOOBIOW-UHFFFAOYSA-N
CAS
4250-77-5
Physicochemical Property
logP
3.0987
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 2734580
SID: 16095762
ChEMBL ID
CHEMBL195033
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000257 MDA-kb2 Homo sapiens (Human)  1
1
IC50 = 3300 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-Hydroxyflavanone )
Drug Name 6-Hydroxyflavanone
Target(s)
Androgen receptor messenger RNA (AR mRNA)
Inhibitor