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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL323197
CHEMBL323197
Compound Name MANGOSTIN
ChEMBL Synonyms NSC-30552
Max Phase 0
Trade Names
Molecular Formula C24H26O6

Additional synonyms for CHEMBL323197 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1c(O)cc2Oc3cc(O)c(CC=C(C)C)c(O)c3C(=O)c2c1CC=C(C)C
Standard InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23( ...
Download InChI
Standard InChI Key GNRIZKKCNOBBMO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL323197

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
410.5 410.1729 5.94 5 96.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 6 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.22 - 6.64 5.8 2 30 0.53

Structural Alerts

There are 4 structural alerts for CHEMBL323197. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GNRIZKKCNOBBMO-UHFFFAOYSA-N
PubChem SID: 11113168 SID: 124882890 SID: 124882891 SID: 124882892 SID: 26749746 SID: 26749747 SID: 26753771
Wikipedia Mangostin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL323197



ACToR 6147-11-1
BindingDB 50214969
Brenda 10096
ChEBI 67547
eMolecules 730801
EPA CompTox Dashboard DTXSID00210420
FDA SRS U6RIV93RU1
Human Metabolome Database HMDB0035796
IBM Patent System 95265F488CE41CD9833C7B4BF56B9079
KEGG Ligand C10080
Mcule MCULE-1080742368
Metabolights MTBLC67547
MolPort MolPort-001-736-566
Nikkaji J8.348H
PDBe MKS
PubChem 5281650
PubChem: Thomson Pharma 14904210
SureChEMBL SCHEMBL354735
ZINC ZINC000005430812

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