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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL512210
CHEMBL512210
Compound Name
ChEMBL Synonyms (Z)-Alpha-Santalol
Max Phase 0
Trade Names
Molecular Formula C15H24O

Additional synonyms for CHEMBL512210 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=C\CC[C@]1(C)C2C[C@@H]3[C@H](C2)C13C)\CO
Standard InChI InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12 ...
Download InChI
Standard InChI Key PDEQKAVEYSOLJX-RQGDDBKYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL512210

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
220.4 220.1827 3.39 4 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
- - 4.32 4.32 0 16 0.72

Structural Alerts

There are 2 structural alerts for CHEMBL512210. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PDEQKAVEYSOLJX-RQGDDBKYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL512210



FDA SRS 15X09F2755
PubChem 11085337
ZINC ZINC000087496269

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