RESORCINOL

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Synonyms
Status
Molecule Category Free-form
ATC D10AX02 S01AX06
UNII YUL4LO94HK
EPA CompTox DTXSID2021238

Structure

InChI Key GHMLBKRAJCXXBS-UHFFFAOYSA-N
Smiles Oc1cccc(O)c1
InChI
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6O2
Molecular Weight 110.11
AlogP 1.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 8.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 7
Enzyme Oxidoreductase
- - - - 34
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 89.71-104.23
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agaricus bisporus
- - - - 34
Bos taurus
- - - - 7
Cricetulus griseus
- - - - 89.71-104.23
Crotalus adamanteus
- - - 8.72-8.83 -
Escherichia coli
- - - - 20

Cross References

Resources Reference
ChEBI 27810
ChEMBL CHEMBL24147
DrugBank DB11085
DrugCentral 3524
FDA SRS YUL4LO94HK
Human Metabolome Database HMDB0032037
KEGG C01751
PDB RCO
PubChem 5054
SureChEMBL SCHEMBL15515
ZINC ZINC000000002028
CONTENTS