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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 ...
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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

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:NTRHFSRAAXRZLC-FJANQRQLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL312298



Nikkaji J778.935A
PubChem 14446187

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