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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL460031
CHEMBL460031
Compound Name GENIPOSIDIC ACID
ChEMBL Synonyms Geniposidic Acid
Max Phase 0
Trade Names
Molecular Formula C16H22O10

Additional synonyms for CHEMBL460031 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3CC=C(CO)[C@@H]23)C(=O)O)[ ...
Download SMILES
Standard InChI InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)2 ...
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Standard InChI Key ZJDOESGVOWAULF-OGJQONSISA-N

Structural Alerts

There are 2 structural alerts for CHEMBL460031. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL460031

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
374.3 374.1213 -2.29 5 166.14 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 6 1 10 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.49 - -2.38 -5.21 0 26 0.29

Compound Cross References

ChemSpider ChemSpider:ZJDOESGVOWAULF-OGJQONSISA-N
Wikipedia Geniposidic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL460031



ACToR 27741-01-1
ChEBI 5301
eMolecules 6856871
EPA CompTox Dashboard DTXSID40182091
KEGG Ligand C11673
Mcule MCULE-1737897361
MolPort MolPort-005-945-863
Nikkaji J17.202B
PubChem 443354
PubChem: Thomson Pharma 14779760
Selleck geniposidic-acid
SureChEMBL SCHEMBL227010

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