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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL451532
CHEMBL451532
Compound Name NARINGIN
ChEMBL Synonyms Naringin
Max Phase 0
Trade Names
Molecular Formula C27H32O14

Additional synonyms for CHEMBL451532 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](O)[C@H](O)[C@@H](CO)O[C@H]2Oc ...
Download SMILES
Standard InChI InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23 ...
Download InChI
Standard InChI Key DFPMSGMNTNDNHN-ZPHOTFPESA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL451532

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
580.5 580.1792 -1.17 6 225.06 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.17 - -.2 -.63 2 41 0.2

Structural Alerts

There are 4 structural alerts for CHEMBL451532. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DFPMSGMNTNDNHN-ZPHOTFPESA-N
PubChem SID: 11532859

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL451532



BindingDB 50241582
Brenda 2858 124565 27226 211874
ChEBI 28819
eMolecules 10363023 1935930
EPA CompTox Dashboard DTXSID6022478
FDA SRS N7TD9J649B
Guide to Pharmacology 4738
Human Metabolome Database HMDB0002927
IBM Patent System C0B650539E8F39CA661818260EE31256
KEGG Ligand C09789
LINCS LSM-2038
Mcule MCULE-8755204723 MCULE-5348711723
Metabolights MTBLC28819
MolPort MolPort-001-742-592
Nikkaji J10.482E
PubChem 442428
PubChem: Drugs of the Future 56310603
PubChem: Thomson Pharma 144202269 14838025
Selleck Naringin(Naringoside)
SureChEMBL SCHEMBL23432
ZINC ZINC000008143604

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