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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1257707
CHEMBL1257707
Compound Name CNICIN
ChEMBL Synonyms Cnicin
Max Phase 0
Trade Names
Molecular Formula C20H26O7

Additional synonyms for CHEMBL1257707 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C\1=C/CC\C(=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C) ...
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Standard InChI InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27- ...
Download InChI
Standard InChI Key ZTDFZLVUIVPZDU-ZWSPDTATSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1257707

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
378.4 378.1679 1.62 6 113.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.77 - 1.35 1.35 0 27 0.37

Structural Alerts

There are 9 structural alerts for CHEMBL1257707. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZTDFZLVUIVPZDU-ZWSPDTATSA-N
Wikipedia Cnicin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1257707



BindingDB 50370832
ZINC ZINC000100265813

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