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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL66
CHEMBL66
Compound Name (+)-TAXIFOLIN
ChEMBL Synonyms (+)-TAXIFOLIN
Max Phase 0
Trade Names
Molecular Formula C15H12O7

Additional synonyms for CHEMBL66 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
Standard InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12) ...
Download InChI
Standard InChI Key CXQWRCVTCMQVQX-LSDHHAIUSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL66

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
304.3 304.0583 1.48 1 127.45 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 5 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.4 - 1.57 1.07 2 22 0.51

Structural Alerts

There are 5 structural alerts for CHEMBL66. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CXQWRCVTCMQVQX-LSDHHAIUSA-N
PubChem SID: 26719897 SID: 26719898 SID: 49681666 SID: 56463005
Wikipedia Taxifolin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL66



BindingDB 212435
Brenda 68720 57491 33019 3233 57431 56438 23212 88156 19823
ChEBI 17948
DrugBank DB02224
eMolecules 530749
EPA CompTox Dashboard DTXSID8022450
FDA SRS 9SOB9E3987
KEGG Ligand C01617
LINCS LSM-5990
Mcule MCULE-2692728789 MCULE-2394173874
Metabolights MTBLC17948
MolPort MolPort-001-740-892
NIH Clinical Collection SAM001246778
Nikkaji J90.394I
PDBe DQH
PubChem 439533
PubChem: Thomson Pharma 49840180
Rhea 17948
SureChEMBL SCHEMBL39786
ZINC ZINC000100018343

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