ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL73930
CHEMBL73930
Compound Name TANGERETIN
ChEMBL Synonyms NSC-53909
Max Phase 0
Trade Names
Molecular Formula C20H20O7

Additional synonyms for CHEMBL73930 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2
Standard InChI InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(2 ...
Download InChI
Standard InChI Key ULSUXBXHSYSGDT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL73930

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
372.4 372.1209 3.5 6 76.36 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.79 1.79 3 27 0.66

Structural Alerts

There are 4 structural alerts for CHEMBL73930. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ULSUXBXHSYSGDT-UHFFFAOYSA-N
PubChem SID: 104265 SID: 26749867 SID: 93576934

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL73930



ACToR 481-53-8 50816-93-8
BindingDB 50209218
Brenda 24458
ChEBI 9400
ChemicalBook CB3409585
eMolecules 732041
EPA CompTox Dashboard DTXSID30197417
FDA SRS I4TLA1DLX6
Human Metabolome Database HMDB0030539
IBM Patent System 1D328AD57F60433CB9B996BDE133F1B7
KEGG Ligand C10190
LINCS LSM-2548
LipidMaps LMPK12111443
Mcule MCULE-1727108016
Metabolights MTBLC9400
MolPort MolPort-001-741-167
Nikkaji J12.348J
PubChem 68077
PubChem: Thomson Pharma 14926581
Selleck Tangeretin(Tangeritin)
SureChEMBL SCHEMBL19740
ZINC ZINC000001531699

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