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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL378104
CHEMBL378104
Compound Name CARDAMOMIN
ChEMBL Synonyms Cardamonin | Cardamomin
Max Phase 0
Trade Names
Molecular Formula C16H14O4

Additional synonyms for CHEMBL378104 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(O)cc(O)c1C(=O)\C=C\c2ccccc2
Standard InChI InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7- ...
Download InChI
Standard InChI Key NYSZJNUIVUBQMM-BQYQJAHWSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL378104

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
270.3 270.0892 3.2 4 66.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7 - 3.61 2.86 2 20 0.66

Structural Alerts

There are 8 structural alerts for CHEMBL378104. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NYSZJNUIVUBQMM-BQYQJAHWSA-N
PubChem SID: 24841437
Wikipedia Cardamomin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL378104



ACToR 19309-14-9 18956-16-6
BindingDB 50185446
Brenda 38305
FDA SRS H8KP1OJ8JX
LINCS LSM-44652
LipidMaps LMPK12120245
Mcule MCULE-6098713539
MolPort MolPort-000-165-365
Nikkaji J107.395H J258.621E
NMRShiftDB 20025459
PubChem 641785
PubChem: Thomson Pharma 15221878
SureChEMBL SCHEMBL449220
ZINC ZINC000004716487

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