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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL395990
CHEMBL395990
Compound Name RHOIFOLIN
ChEMBL Synonyms Rhoifolin | Apigenin-7-Neohesperidoside
Max Phase 0
Trade Names
Molecular Formula C27H30O14

Additional synonyms for CHEMBL395990 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4C(=O)C=C(Oc4c3)c5ccc( ...
Download SMILES
Standard InChI InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23 ...
Download InChI
Standard InChI Key RPMNUQRUHXIGHK-PYXJVEIZSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL395990

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
578.5 578.1636 -0.38 6 225.05 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 8 3 14 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.11 - -.06 -1.37 2 41 0.22

Structural Alerts

There are 4 structural alerts for CHEMBL395990. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RPMNUQRUHXIGHK-PYXJVEIZSA-N
PubChem SID: 504440
Wikipedia Rhoifolin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL395990



ACToR 17306-46-6
ChEBI 31227
eMolecules 5851863
IBM Patent System 6481DAB78CF8281515F98D5CDE64BB0B
KEGG Ligand C12627
LINCS LSM-20984
Mcule MCULE-8253708094
Metabolights MTBLC31227
MolPort MolPort-001-742-281
Nikkaji J13.923H
PubChem 5282150
PubChem: Thomson Pharma 96100839
SureChEMBL SCHEMBL118911
ZINC ZINC000003978800

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