MORIN

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Synonyms
Molecule Category Free-form
UNII 8NFQ3F76WR
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 YXOLAZRVSSWPPT-UHFFFAOYSA-N
Smiles OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O7
Molecular Weight 302.24
AlogP 1.63
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 127.45
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- 21700 - - -
Enzyme
- 21700 - - 40.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Avian myeloblastosis virus
- - - - 40.5
Homo sapiens
- 21700 - - -

Cross References

Resources Reference
ChEMBL CHEMBL28626
FDA SRS 8NFQ3F76WR
PubChem 5281670
SureChEMBL SCHEMBL19984
ZINC ZINC03881558
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