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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL487182
CHEMBL487182
Compound Name TETRAHYDROPALMATINE
ChEMBL Synonyms Tetrahydropalmatine | L-Tetrahydropalmatine | (-)-Tetrahydropalmatine
Max Phase 0
Trade Names
Molecular Formula C21H25NO4

Additional synonyms for CHEMBL487182 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC
Standard InChI InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24- ...
Download InChI
Standard InChI Key AEQDJSLRWYMAQI-KRWDZBQOSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL487182

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
355.4 355.1784 3.6 4 40.16 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.44 2.98 2.98 2 26 0.84

Structural Alerts

There are no structural alerts for CHEMBL487182

Compound Cross References

ChemSpider ChemSpider:AEQDJSLRWYMAQI-KRWDZBQOSA-N
Wikipedia Tetrahydropalmatine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL487182



ACToR 483-14-7 6808-63-5
BindingDB 50424077
ChEBI 16563
eMolecules 872402
FDA SRS 3X69CO5I79
IBM Patent System D157040BDE519BB66F0319EAA9D59F2E
KEGG Ligand C02890
Mcule MCULE-5343199995
MolPort MolPort-000-881-202
Nikkaji J31.887F
NMRShiftDB 10021163
PubChem 72301
PubChem: Thomson Pharma 14803150 16014105
Selleck rotundine
SureChEMBL SCHEMBL230850
ZINC ZINC19535049

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