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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1078341
CHEMBL1078341
Compound Name BALSAMINAPENTAOL A
ChEMBL Synonyms BALSAMINAPENTAOL A
Max Phase 0
Trade Names
Molecular Formula C30H50O5

Additional synonyms for CHEMBL1078341 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](C[C@@H](O)[C@H](O)C(=C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@ ...
Download SMILES
Standard InChI InChI=1S/C30H50O5/c1-17(2)25(35)22(32)14-18(3)19-10-11-30(7) ...
Download InChI
Standard InChI Key LJWAEAIXBCCHLR-ITWKNSBQSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1078341

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
490.7 490.3658 3.79 6 101.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 0 5 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.84 - 4.13 4.13 0 35 0.37

Structural Alerts

There are 3 structural alerts for CHEMBL1078341. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LJWAEAIXBCCHLR-ITWKNSBQSA-N
Wikipedia Balsaminapentaol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1078341



EPA CompTox Dashboard DTXSID70659645
Nikkaji J2.801.201B
PubChem 44607275
PubChem: Thomson Pharma 87357014

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