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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL124022
CHEMBL124022
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14O7

Additional synonyms for CHEMBL124022 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1[C@@H](O)c2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
Standard InChI InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12) ...
Download InChI
Standard InChI Key SBZWTSHAFILOTE-SOUVJXGZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL124022

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
306.3 306.074 1.19 1 130.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 6 1 7 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.43 - -.25 -.26 2 22 0.44

Structural Alerts

There are 3 structural alerts for CHEMBL124022. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SBZWTSHAFILOTE-SOUVJXGZSA-N
Wikipedia Leucocyanidin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL124022



ACToR 93527-39-0
Brenda 44365 152481 125317 57092 125383 20194 16453 16826
ChEBI 11412
EPA CompTox Dashboard DTXSID70331530
IBM Patent System A68CDEB3409A2A8499F415674BD438A0
KEGG Ligand C05906
LipidMaps LMPK12020203
Nikkaji J862.804A
PubChem 440833
SureChEMBL SCHEMBL1649595

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