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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 3-Carene | Delta-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

Structural Alerts

There are 1 structural alerts for CHEMBL506854. To view alerts please click here.

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

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
Human Metabolome Database HMDB35619
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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