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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL215254
CHEMBL215254
Compound Name TANSHINONE IIB
ChEMBL Synonyms Tanshinone IIB
Max Phase 0
Trade Names
Molecular Formula C19H18O4

Additional synonyms for CHEMBL215254 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1coc2c3ccc4c(CCCC4(C)CO)c3C(=O)C(=O)c12
Standard InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9 ...
Download InChI
Standard InChI Key XDUXBBDRILEIEZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL215254

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
310.4 310.1205 3.22 1 67.51 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.99 2.99 2 23 0.82

Structural Alerts

There are 4 structural alerts for CHEMBL215254. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XDUXBBDRILEIEZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL215254



BindingDB 50391429
Nikkaji J13.961K
PubChem 318797
PubChem: Thomson Pharma 14825670
SureChEMBL SCHEMBL11945767

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