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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1236329
CHEMBL1236329
Compound Name 1R-(+)-ALPHA-PINENE
ChEMBL Synonyms alpha-PINENE
Max Phase 0
Trade Names
Molecular Formula C10H16

Additional synonyms for CHEMBL1236329 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CC[C@@H]2C[C@H]1C2(C)C
Standard InChI InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H ...
Download InChI
Standard InChI Key GRWFGVWFFZKLTI-RKDXNWHRSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1236329

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
136.2 136.1252 3 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.32 4.32 0 10 0.45

Structural Alerts

There are 1 structural alerts for CHEMBL1236329. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GRWFGVWFFZKLTI-RKDXNWHRSA-N
PubChem SID: 144213740

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1236329



Brenda 141176 8369
ChEBI 28261
eMolecules 493292
EPA CompTox Dashboard DTXSID7041671
FDA SRS H6CM4TWH1W
IBM Patent System D3A8131340DE2DCB2B670C4BB313FB82
KEGG Ligand C06306
LipidMaps LMPR0102120012
Metabolights MTBLC28261
MolPort MolPort-003-928-859
Nikkaji J95.399G
PDBe TMH
PubChem 82227
PubChem: Thomson Pharma 14818230 15170728
Rhea 28261
SureChEMBL SCHEMBL156802
ZINC ZINC000000967579

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