General Information of the Compound
Compound ID
CP0847707
Compound Name
Ochnaflavone
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Synonyms
2-[4-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one
2-{4-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]phenyl}-5,7-dihydroxy-4H-chromen-4-one
4CH-024764
4H-1-Benzopyran-4-one, 2-(4-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenoxy)phenyl)-5,7-dihydroxy-
50276-96-5
6882AB
AC1NUSW2
AK120364
AKOS016010710
AX8245780
DTXSID70198281
KB-282683
Ochnaflavone
Ochnaflavone7-O-beta-D-gluco-pyranoside
SCHEMBL13829452
ZINC28462577
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Structure
Formula
C30H18O10
Molecular Weight
538.464
Canonical SMILES
O=c1cc(-c2ccc(Oc3cc(-c4cc(=O)c5c(O)cc(O)cc5o4)ccc3O)cc2)oc2cc(O)cc(O)c12
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InChI
InChI=1S/C30H18O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-13,31-35H
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InChIKey
NNPGECDACGBKDH-UHFFFAOYSA-N
CAS
50276-96-5
Physicochemical Property
logP
5.5537
Rotatable Bonds
4
Heavy Atom Count
40
Polar Areas
170.8
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
10
Complexity
40

"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: 5492110
SID: 15457056
ChEMBL ID
CHEMBL187504
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: PT01265, Cytosolic phospholipase A2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02151, Group 10 secretory phospholipase A2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05652, Phospholipase A2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00906, Phospholipase A2, membrane associated
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3500 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Ochnaflavone )
Drug Name Ochnaflavone
Target(s)
Group IIA phospholipase A2 (GIIA sPLA2)
Inhibitor