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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL312298
CHEMBL312298
Compound Name DECINNAMOYLTAXININE J
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H42O11

Additional synonyms for CHEMBL312298 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)O[C@@H]1[C@@H]2C[C@H](OC(=O)C)C(=C([C@@H](OC(=O)C)[C@H ...
Download SMILES
Standard InChI InChI=1S/C30H42O11/c1-13-21(36)12-23(38-16(4)32)30(10)25(13) ...
Download InChI
Standard InChI Key NTRHFSRAAXRZLC-FJANQRQLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL312298

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
578.7 578.2727 1.63 10 151.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 1 2 11 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.68 - 2.56 2.56 0 41 0.3

Structural Alerts

There are 4 structural alerts for CHEMBL312298. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NTRHFSRAAXRZLC-FJANQRQLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL312298



Nikkaji J778.935A
PubChem 14446187
ZINC ZINC000101260753

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