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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
BindinDB 15236
ChEBI 18152
DrugBank DB02375
eMolecules 529338
FDA SRS 76XC01FTOJ
Human Metabolome Database HMDB02755
IBM Patent System C0EB3E1D191F7B23BEA2C9A13397D372
IBM Patents US5646178 US20090143279 EP1853590A1 EP1394248A1 US20080227829 US5650432 EP2258359A2 US20070042026 US20090214607 EP2028949A2 WO2007093839A1 EP1370218A2 US7270837 US6610342 US20030095959 US20050095682 US20100160244 US20080268112 US6610320 EP1557153A1 EP1906769A2 EP2123174A2 WO2010000580A2 US20070254051 EP2068900A2 US20080199564 EP0998899A1 WO2010056549A1 US20060111435 EP1096930A1 US5478579 WO2008016838A1 US7763588 WO2009074366A1 WO2003053336A2 US5965625 US20080076833 US20030144316 EP2128255A1 US20090069301 US20070078083 WO2008030651A1 US6555523 US20070077317 EP1778177A1 WO2004089431A1 EP1624887A1 US20060280835 EP1291010A2 US7399493 US20080160138 US20030082101 WO2009143065A2 WO2006052899A2 WO2006074278A2 WO2006110406A2 US20030161753 EP1411883A2 US20090124701 WO2009118226A2 EP2037765A1 US20080268014 US6608246 US20100216729 WO2008097861A2 EP2144512A2 WO2007102915A2 US20060111307 EP2252375A1 EP1273308A1 US20060193850 US6569446 EP1841456A2 EP1105146A1 US20050181077 WO2008020030A1 WO2006127681A3 US20030170186 US20100151106 US7786166 WO2003068202A1 WO2010096053A1 WO2004087180A1 EP1201227A2 US20090098076 US20080306041 WO2004030641A1 EP1604647B1 EP1883413A2 US20040166179 US20060019334 EP1957086A2 US20090124688 US20040197279 WO2008039863A2 EP2146739A2 EP1868452B1 US20080139486 WO2004009833A2 US6448003
KEGG Ligand C10107
LINCS LSM-2957
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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