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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1079357
CHEMBL1079357
Compound Name CLINOPODIC ACID H
ChEMBL Synonyms Clinopodic Acid H
Max Phase 0
Trade Names
Molecular Formula C29H26O12

Additional synonyms for CHEMBL1079357 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(C[C@@H](OC(=O)\C=C\c2ccc(O)c3O[C@@H]([C@@H](C(=O)O)c2 ...
Download SMILES
Standard InChI InChI=1S/C29H26O12/c1-38-20-11-14(3-7-17(20)30)12-22(28(34)3 ...
Download InChI
Standard InChI Key QQPFHBFQFCFWRM-ZBBBDWFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1079357

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
566.5 566.1424 3.37 10 189.28 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 1 12 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.75 - 1.38 -3.37 3 41 0.18

Structural Alerts

There are 9 structural alerts for CHEMBL1079357. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QQPFHBFQFCFWRM-ZBBBDWFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1079357



BindingDB 50310827
Nikkaji J2.768.168I
PubChem 44254598
PubChem: Thomson Pharma 85289316
ZINC ZINC000049775545

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