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ChEMBL Statistics
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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( ...
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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

Structural Alerts

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

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

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
Nikkaji J13.923H
PubChem 5282150
PubChem: Thomson Pharma 96100839
SureChEMBL SCHEMBL118911
ZINC ZINC03978800

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