MYRICETIN

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Synonyms
Molecule Category Free-form
UNII 76XC01FTOJ
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key IKMDFBPHZNJCSN-UHFFFAOYSA-N
Smiles OC1=C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3
InChI
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O8
Molecular Weight 318.24
AlogP 1.39
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 1.0
Polar Surface Area 147.68
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 12 - - -
Enzyme Isomerase
- 390 - - -
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- 2800 - - -
Enzyme
- 12 - - 82.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Avian myeloblastosis virus
- - - - 82.5
Homo sapiens
- 12-2800 - - -

Cross References

Resources Reference
ChEMBL CHEMBL164
FDA SRS 76XC01FTOJ
PDB MYC
PubChem 5281672
SureChEMBL SCHEMBL19302
ZINC ZINC03874317
CONTENTS