General Information of the Compound
Compound ID
CP0040161
Compound Name
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyran-4-one
    Show/Hide
Synonyms
2',3,4',5,7-Pentahydroxyflavone
2',4',3,5,7-Pentahydroxyflavone
2',4',5,7-Tetrahydroxyflavan-3-ol
2'-Hydroxypelargidenolon 1522
2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
3,5,7,2',4'-Pentahydroxyflavone
3,5,7,2',4'-Pentahydroxyflavonol
480-16-0
Al-Morin
Aurantica
Bois d'arc
Bois d'arc [French]
Bois d,Arc
C.I. 75660
C.I. Natural Yellow 11
C.I. Natural Yellow 8
Calico Yellow
MORIN
Morin hydrate
Osage Orange
Osage Orange Crystals
Osage Orange Extract
Toxylon Pomiferum
Zlut prirodni 11
morin
    Show/Hide
Structure
Formula
C15H10O7
Molecular Weight
302.238
Canonical SMILES
Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
    Show/Hide
InChI
InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
    Show/Hide
InChIKey
YXOLAZRVSSWPPT-UHFFFAOYSA-N
CAS
11128-85-1
480-16-0
Physicochemical Property
logP
1.988
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
131.36
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
7
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5281670
SID: 14776187
ChEMBL ID
CHEMBL28626
DrugBank ID
DB16770
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: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 34000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01020, Beta-secretase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 12300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 21700 nM
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 21000 nM
   TI
   LI
   LO
   TS
CL000756 MCF/MX Homo sapiens (Human)  1
1
IC50 = 49000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  2
1
EC50 = 1330 nM
   TI
   LI
   LO
   TS
2
IC50 = 1600 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 11200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( MORIN )
Drug Name MORIN
Target(s)
Plasmodium Beta-hydroxyacyl-ACP dehydratase (Malaria FabZ)
Inhibitor
Fatty acid synthase (FASN)
Inhibitor
Plasmodium Oxoacyl-[acyl-carrier protein] reductase (Malaria fabG)
Inhibitor
Plasmodium Enoyl-ACP reductase (Malaria fabI)
Inhibitor
Urate anion exchanger 1 (URAT1)
Inhibitor
Estrogen receptor beta (ESR2)
Inhibitor
Induced myeloid leukemia cell differentiation protein Mcl-1 (MCL1)
Inhibitor