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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 | Tetrahydropalmatine | L-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

Structural Alerts

There are no structural alerts for CHEMBL487182

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
- 6.53 .59 .54 2 26 0.84

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
BindinDB 50424077
ChEBI 16563
eMolecules 872402
FDA SRS 3X69CO5I79
IBM Patent System D157040BDE519BB66F0319EAA9D59F2E
IBM Patents WO1996011894A1 US20090143279 US20070174128 WO2003103670A1 US20080003307 WO2010077754A1 US6919094 US20090269772 US20080004909 EP0108147A1 US6280768 WO2006113481A1 US20090123559 WO2010075469A1 US7341745 US20080082368 US4657861 EP1964039A2 US20080171096 US20080176887 US20070124175 US20060236421 WO2001062089A1 US5470852 EP0154035A2 US20090035396 WO2008073484A2 WO2007117693A2 US20070124176 US20080160116 EP2085085A1 US20080175932 US4761417 WO2007078746A2 US20090048246 US20080082272 WO2009002873A1 US20060110468 WO2008073483A2 EP1964040A2 US20080133268 US20070199090 WO1997006812A1 US20090222957 WO2008073446A2 WO2006086068A1 US20080046395 US20080052114 EP1911456A1 EP0538844A3 US20080114577 EP1866418A2 WO2008073462A1 US20060195934 US20100041632 US20070136092 US20090297443 WO2007003941A1 EP1994154A2 US20080004905 WO2008156654A2 WO2004069144A2 US20020143067 US20070124218 WO2010077753A1 WO2008002322A2 US20070124219 US5153178 WO2007038610A2 US20040198770 WO1983003970A1 WO2007075378A2 WO2010081266A1 US7795503 US20070214008 WO2009005707A1 US20100029613 WO2008002640A2 US6521634 US20080033762 WO2006091676A2 WO1998000018A1 US20080033763 US20040156932 EP0538844A2 US7827042
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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