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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

Structural Alerts

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

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

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
FDA SRS WV7IM0I02M
IBM Patent System B0B13C06C7535FA89743D050C041C38C
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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