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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL506854
CHEMBL506854
Compound Name CARENE
ChEMBL Synonyms Delta-3-Carene | 3-Carene
Max Phase 0
Trade Names
Molecular Formula C10H16

Additional synonyms for CHEMBL506854 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CCC2C(C1)C2(C)C
Standard InChI InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H ...
Download InChI
Standard InChI Key BQOFWKZOCNGFEC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL506854

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 2.87 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 CHEMBL506854. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BQOFWKZOCNGFEC-UHFFFAOYSA-N
PubChem SID: 144212949
Wikipedia Carene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL506854



ACToR 13466-78-9 74806-04-5 116783-27-8
ChEBI 35661
eMolecules 718888
EPA CompTox Dashboard DTXSID4047462
Human Metabolome Database HMDB0035619
IBM Patent System AF9F04D6B02397FA41C53B70D9802E70
Mcule MCULE-2811504753
MolPort MolPort-006-120-436
Nikkaji J8.118C J275.524F
NMRShiftDB 10018375
PubChem 26049
PubChem: Thomson Pharma 15437237
SureChEMBL SCHEMBL112444

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