ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL509319
CHEMBL509319
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H10O3

Additional synonyms for CHEMBL509319 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CC(=O)c2c(C)cc(O)cc2O1
Standard InChI InChI=1S/C11H10O3/c1-6-3-8(12)5-10-11(6)9(13)4-7(2)14-10/h3- ...
Download InChI
Standard InChI Key CRNGFKXWIYTEPH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL509319

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
190.2 190.063 2.15 0 46.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.2 - 2.02 1.61 1 14 0.68

Structural Alerts

There are 2 structural alerts for CHEMBL509319. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CRNGFKXWIYTEPH-UHFFFAOYSA-N
Wikipedia Altechromone_A

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL509319



EPA CompTox Dashboard DTXSID20415713
Human Metabolome Database HMDB0040326
IBM Patent System 6F0BF163D5D8EFDB9B82E9E945AB5F53
Nikkaji J128.396K
PubChem 5316891
PubChem: Thomson Pharma 26698114
SureChEMBL SCHEMBL18096537
ZINC ZINC000014447816

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CRNGFKXWIYTEPH-UHFFFAOYSA-N spacer
spacer