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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL400927
CHEMBL400927
Compound Name ELEPHANTOPIN
ChEMBL Synonyms Elephantopin
Max Phase 0
Trade Names
Molecular Formula C19H20O7

Additional synonyms for CHEMBL400927 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=C)C(=O)O[C@H]1CC2=C[C@@H](C[C@@]3(C)O[C@@H]3[C@H]4OC(=O) ...
Download SMILES
Standard InChI InChI=1S/C19H20O7/c1-8(2)16(20)24-12-6-10-5-11(23-18(10)22)7 ...
Download InChI
Standard InChI Key WIQOUTANBFOBPB-KIVXNUBRSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL400927

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
360.4 360.1209 1.72 3 91.43 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.45 -.45 0 26 0.56

Structural Alerts

There are 16 structural alerts for CHEMBL400927. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WIQOUTANBFOBPB-KIVXNUBRSA-N
PubChem SID: 403575
Wikipedia Elephantopin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL400927



ACToR 13017-11-3
ChEBI 4773
IBM Patent System E9BBDED9F657EEBAC2E93E1A3AC4928A
KEGG Ligand C09403
LipidMaps LMPR0103090004
Nikkaji J15.798H
PubChem 442206
SureChEMBL SCHEMBL8401219
ZINC ZINC000004098062

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