General Information of the Compound
Compound ID
CP0185633
Compound Name
3,3',4',5',7-pentahydroxy flavone
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Synonyms
3,7,3',4',5'-pentahydroxyflavone
3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4-benzopyrone
3,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
490-31-3
4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-
5-Deoxymyricetin
5-Hydroxyfisetin
BRN 0308905
CCRIS 7520
CHEBI:8876
CHEMBL170405
EINECS 207-709-6
FLAVONE, 3,3',4',5',7-PENTAHYDROXY-
KJ6DBC4U7E
NSC 407331
NSC 656274
NSC-407331
NSC656274
Norkanugin
ROBINETIN
Robinetin
UNII-KJ6DBC4U7E
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Structure
Formula
C15H10O7
Molecular Weight
302.238
Canonical SMILES
Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
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InChI
InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
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InChIKey
SOEDEYVDCDYMMH-UHFFFAOYSA-N
CAS
490-31-3
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).

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PubChem ID
CID: 5281692
SID: 14825314
ChEMBL ID
CHEMBL170405
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: PT02516, Multidrug resistance-associated protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000036 MDCK-II Canis lupus familiaris (Dog)  1
1
Ki = 5000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ROBINETIN )
Drug Name ROBINETIN
Target(s)
Xanthine dehydrogenase/oxidase (XDH)
Inhibitor