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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL28626
CHEMBL28626
Compound Name MORIN
ChEMBL Synonyms NSC-19801
Max Phase 0
Trade Names
Molecular Formula C15H10O7

Additional synonyms for CHEMBL28626 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O
Standard InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10( ...
Download InChI
Standard InChI Key YXOLAZRVSSWPPT-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL28626

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
302.2 302.0427 1.63 1 127.45 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 5 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.3 - 2.7 1.31 2 22 0.54

Structural Alerts

There are 4 structural alerts for CHEMBL28626. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YXOLAZRVSSWPPT-UHFFFAOYSA-N
PubChem SID: 11111456 SID: 124880702 SID: 124880704 SID: 124880709 SID: 26746965 SID: 50104016 SID: 50104017 SID: 82595 SID: 85231133 SID: 855692 SID: 90341521
Wikipedia Morin_(flavonol)

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL28626



ACToR 480-16-0 11128-85-1
BindingDB 26658
Brenda 156714 1145
ChEBI 75092
eMolecules 529292
EPA CompTox Dashboard DTXSID1022398
FDA SRS 8NFQ3F76WR
Guide to Pharmacology 411
Human Metabolome Database HMDB0030796
IBM Patent System A3310154A27F7253DDCF68E3B7AB62A9
KEGG Ligand C10105
LINCS LSM-36988
LipidMaps LMPK12112517
Mcule MCULE-2387347344
Metabolights MTBLC75092
MolPort MolPort-001-742-584
Nikkaji J1.542C
PDBe MRI
PubChem 5281670
PubChem: Thomson Pharma 14776187
SureChEMBL SCHEMBL19984
ZINC ZINC000003881558

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