ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3039479
CHEMBL3039479
Compound Name PHYTOL
ChEMBL Synonyms Phytol
Max Phase 0
Trade Names
Molecular Formula C19H38O

Additional synonyms for CHEMBL3039479 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CC\C(=C\CO)\C
Standard InChI InChI=1S/C19H38O/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-19(5) ...
Download InChI
Standard InChI Key VNYGDSNUPVEJKI-IWBCJCCCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3039479

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
282.5 282.2923 5.97 12 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 7.72 7.72 0 20 0.44

Structural Alerts

There are 3 structural alerts for CHEMBL3039479. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VNYGDSNUPVEJKI-IWBCJCCCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3039479



PubChem 6857772

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