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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL485998
CHEMBL485998
Compound Name FRIEDELINE
ChEMBL Synonyms Friedelin | Friedeline
Max Phase 0
Trade Names
Molecular Formula C30H50O

Additional synonyms for CHEMBL485998 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]3[C@@]2(C)CC[C@@]4(C)[C@ ...
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Standard InChI InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22, ...
Download InChI
Standard InChI Key OFMXGFHWLZPCFL-SVRPQWSVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL485998

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
426.7 426.3862 8.46 0 17.07 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 10.29 10.29 0 31 0.38

Structural Alerts

There are 1 structural alerts for CHEMBL485998. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OFMXGFHWLZPCFL-SVRPQWSVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL485998



BindingDB 50241943
Brenda 18803
ChEBI 5171
eMolecules 484443
FDA SRS AK21264UAD
KEGG Ligand C08626
Metabolights MTBLC5171
MolPort MolPort-003-873-398
Nikkaji J17.557I
PubChem 91472
PubChem: Thomson Pharma 15403319
Rhea 5171
SureChEMBL SCHEMBL193053
ZINC ZINC000004097720

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