RESORCINOL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D10AX02
UNII: YUL4LO94HK

Structure
InChI Key GHMLBKRAJCXXBS-UHFFFAOYSA-N
Smile 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
Number of Rotational Bond 0.0
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 Lyase
- - - 7700-7700 -
Enzyme Oxidoreductase
- 3600-30800 86900 - 34
Enzyme
- 3600-30800 86900 7700-7700 34
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 104

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 27810
ChEMBL CHEMBL24147
DrugBank DB11085
DrugCentral 3524
EPA CompTox DTXSID2021238
FDA SRS YUL4LO94HK
Human Metabolome Database HMDB0032037
KEGG C01751
PDB RCO
PubChem 5054
SureChEMBL SCHEMBL15515
ZINC ZINC000000002028
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