Structure

InChI Key ZISJNXNHJRQYJO-CMDGGOBGSA-N
Smile CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O
InChI
InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18O2
Molecular Weight 254.33
AlogP 4.39
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Aryl hydrocarbon receptor agonist PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 3 D011565 ClinicalTrials
Dermatitis, Atopic 2 D003876 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL259571
DrugBank DB06083
FDA SRS 84HW7D0V04
Guide to Pharmacology 9686
PubChem 6439522
SureChEMBL SCHEMBL918343
ZINC ZINC000005761533