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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL164
CHEMBL164
Compound Name MYRICETIN
ChEMBL Synonyms NSC-407290
Max Phase 0
Trade Names
Molecular Formula C15H10O8

Additional synonyms for CHEMBL164 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1=C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3
Standard InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)2 ...
Download InChI
Standard InChI Key IKMDFBPHZNJCSN-UHFFFAOYSA-N

Structural Alerts

There are 10 structural alerts for CHEMBL164. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL164

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
318.2 318.0376 1.39 1 147.68 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 6 1 8 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.3 - 1.21 -.19 2 23 0.43

Compound Cross References

ChemSpider ChemSpider:IKMDFBPHZNJCSN-UHFFFAOYSA-N
PubChem SID: 11111487 SID: 11111488 SID: 11111489 SID: 124880771 SID: 124880773 SID: 124880776 SID: 124880777 SID: 124880778 SID: 26753603 SID: 26753604 SID: 477075 SID: 50106561 SID: 50106562 SID: 50124232 SID: 56463598 SID: 85231140 SID: 90341245
Wikipedia Myricetin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL164



ACToR 529-44-2
BindingDB 15236
ChEBI 18152
DrugBank DB02375
eMolecules 529338
EPA CompTox Dashboard DTXSID8022400
FDA SRS 76XC01FTOJ
Human Metabolome Database HMDB02755
IBM Patent System C0EB3E1D191F7B23BEA2C9A13397D372
KEGG Ligand C10107
LINCS LSM-2957
Mcule MCULE-6299186219
MolPort MolPort-001-740-532
Nikkaji J1.585G
PDBe MYC
PubChem 5281672
PubChem: Drugs of the Future 12015490
PubChem: Thomson Pharma 14874593
Selleck Myricetin(Cannabiscetin)
SureChEMBL SCHEMBL19302
ZINC ZINC03874317

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