ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL69018
CHEMBL69018
Compound Name FALCARINDIOL
ChEMBL Synonyms Falcarindiol | (3S,8S)-Falcarindiol | (3R,8S)-Falcarindiol
Max Phase 0
Trade Names
Molecular Formula C17H24O2

Additional synonyms for CHEMBL69018 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C
Standard InChI InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16( ...
Download InChI
Standard InChI Key QWCNQXNAFCBLLV-YWALDVPYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL69018

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
260.4 260.1776 4.71 11 40.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.65 - 5.47 5.47 0 19 0.32

Structural Alerts

There are 12 structural alerts for CHEMBL69018. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QWCNQXNAFCBLLV-YWALDVPYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL69018



ACToR 55297-87-5
BindingDB 50071370
KEGG Ligand C08449
LipidMaps LMFA05000658
MolPort MolPort-028-754-116
PubChem 5281148
PubChem: Thomson Pharma 15949768
SureChEMBL SCHEMBL40935
ZINC ZINC000008214562

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