HYMECROMONE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A05AX02
UNII 3T5NG4Q468
EPA CompTox DTXSID8025670

Structure

InChI Key HSHNITRMYYLLCV-UHFFFAOYSA-N
Smiles Cc1cc(=O)oc2cc(O)ccc12
InChI
InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8O3
Molecular Weight 176.17
AlogP 1.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 50.44
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0.88-4.46
Enzyme Lyase
- - - 560 -
Membrane receptor
- - - - 21.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Electrophorus electricus
- - - - 4.46
Equus caballus
- - - - 0.88
Homo sapiens
- - - 560 21.5
Mus musculus
- - - - -14.2-61.8

Cross References

Resources Reference
ChEBI 17224
ChEMBL CHEMBL12208
DrugBank DB07118
DrugCentral 1401
FDA SRS 3T5NG4Q468
Human Metabolome Database HMDB0059622
KEGG C03081
PDB 4MU
PubChem 5280567
SureChEMBL SCHEMBL24150
ZINC ZINC000000058121
CONTENTS