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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL226915
CHEMBL226915
Compound Name GUAIOL
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H26O

Additional synonyms for CHEMBL226915 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)O
Standard InChI InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10) ...
Download InChI
Standard InChI Key TWVJWDMOZJXUID-SDDRHHMPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL226915

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
222.4 222.1984 3.91 1 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.78 4.78 0 16 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL226915. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TWVJWDMOZJXUID-SDDRHHMPSA-N
Wikipedia Guaiol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL226915



ChEBI 5552
eMolecules 495360
FDA SRS I7WP008A91
IBM Patent System 63C0A7955DDCABD72FC66204A63F80AC
KEGG Ligand C09676
LipidMaps LMPR0103410007
Nikkaji J252.480E
PubChem 227829
PubChem: Thomson Pharma 14868053
SureChEMBL SCHEMBL114056
ZINC ZINC000001996067

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