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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL501490
CHEMBL501490
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H26O12

Additional synonyms for CHEMBL501490 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c5 ...
Download SMILES
Standard InChI InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16 ...
Download InChI
Standard InChI Key XFZJEEAOWLFHDH-AVFWISQGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL501490

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
578.5 578.1424 3 3 220.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 10 3 12 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.29 - .98 .97 4 42 0.16

Structural Alerts

There are 4 structural alerts for CHEMBL501490. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XFZJEEAOWLFHDH-AVFWISQGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL501490



ACToR 23567-23-9
BindingDB 50447858
ChEBI 75630
EPA CompTox Dashboard DTXSID60178193
FDA SRS 2TC1A0KEAQ
Human Metabolome Database HMDB0033974
IBM Patent System 99F7EB32B378E27BBD4CE50317667A7A
LipidMaps LMPK12030003
Metabolights MTBLC75630
MolPort MolPort-003-959-148
Nikkaji J56.254H
PubChem 146798
PubChem: Thomson Pharma 14813292 14935691
SureChEMBL SCHEMBL677697
ZINC ZINC000042804873

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