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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

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

Structural Alerts

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

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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