ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL473518
CHEMBL473518
Compound Name RHAPONTIGENIN
ChEMBL Synonyms Rhapontigenin
Max Phase 0
Trade Names
Molecular Formula C16H16O4

Additional synonyms for CHEMBL473518 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1OC
Standard InChI InChI=1S/C16H16O4/c1-19-15-6-5-11(9-16(15)20-2)3-4-12-7-13(1 ...
Download InChI
Standard InChI Key WHKSEHKYYXHCTA-ONEGZZNKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL473518

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
272.3 272.1049 3.29 4 58.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.16 - 2.95 2.94 2 20 0.84

Structural Alerts

There are 3 structural alerts for CHEMBL473518. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WHKSEHKYYXHCTA-ONEGZZNKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL473518



BindingDB 50247221
Nikkaji J2.497.512F J1.985.095A
PubChem 44563762
PubChem: Thomson Pharma 163680461
SureChEMBL SCHEMBL10307426 SCHEMBL19433130
ZINC ZINC000040898987

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