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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL208484
CHEMBL208484
Compound Name KARANJIN
ChEMBL Synonyms Karanjin
Max Phase 0
Trade Names
Molecular Formula C18H12O4

Additional synonyms for CHEMBL208484 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC1=C(Oc2c(ccc3occc23)C1=O)c4ccccc4
Standard InChI InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17( ...
Download InChI
Standard InChI Key LKPQNZRGGNOPPU-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL208484

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
292.3 292.0736 3.13 2 48.67 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.35 3.35 3 22 0.73

Structural Alerts

There are 3 structural alerts for CHEMBL208484. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LKPQNZRGGNOPPU-UHFFFAOYSA-N
PubChem SID: 11113099 SID: 124882791 SID: 26754199 SID: 57261060
Wikipedia Karanjin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL208484



ACToR 521-88-0
eMolecules 744166
EPA CompTox Dashboard DTXSID20200106
FDA SRS WV7IM0I02M
IBM Patent System B0B13C06C7535FA89743D050C041C38C
LipidMaps LMPK12111542
Mcule MCULE-6473864283
MolPort MolPort-004-955-030
Nikkaji J6.616H
PubChem 100633
SureChEMBL SCHEMBL247164
ZINC ZINC00039119

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