General Information of the Compound
Compound ID
CP0915962
Compound Name
Polyporic Acid
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Synonyms
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-diphenyl-
2,5-Dihydroxy-3,6-diphenyl-2,5-cyclohexadiene-1,4-dione
2,5-Dihydroxy-3,6-diphenyl-p-benzoquinone
2,5-Dihydroxy-3,6-diphenylbenzo-1,4-quinone
4-08-00-03298 (Beilstein Handbook Reference)
548-59-4
AC1L1WIT
BRN 2057889
CTK1H0626
DTXSID50203281
HZKFHDXTSAYOSN-UHFFFAOYSA-N
MolPort-003-979-960
NSC 44175
NSC44175
Orygameic acid
Polyporic acid
Polyporin
S 1148
SCHEMBL2445444
p-BENZOQUINONE, 2,5-DIHYDROXY-3,6-DIPHENYL-
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Structure
Formula
C18H12O4
Molecular Weight
292.29
Canonical SMILES
O=C1C(O)=C(c2ccccc2)C(=O)C(O)=C1c1ccccc1
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InChI
InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H
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InChIKey
HZKFHDXTSAYOSN-UHFFFAOYSA-N
CAS
548-59-4
Physicochemical Property
logP
3.0768
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
74.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 11056
SID: 15468067
ChEMBL ID
CHEMBL480678
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: PT00879, Proto-oncogene tyrosine-protein kinase Src
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Polyporic acid )
Drug Name Polyporic acid
Target(s)
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)
Inhibitor