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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL501351
CHEMBL501351
Compound Name BETA-PINENE
ChEMBL Synonyms Beta-Pinene
Max Phase 0
Trade Names
Molecular Formula C10H16

Additional synonyms for CHEMBL501351 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)C2CCC(=C)C1C2
Standard InChI InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H ...
Download InChI
Standard InChI Key WTARULDDTDQWMU-UHFFFAOYSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL501351. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL501351

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 2.93 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
- - 4.24 4.24 0 10 0.45

Compound Cross References

ChemSpider ChemSpider:WTARULDDTDQWMU-UHFFFAOYSA-N
PubChem SID: 144207227
Wikipedia Beta-Pinene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL501351



ACToR 127-91-3 211108-08-6 18172-67-3 12002-07-2
ChEBI 50025
eMolecules 3716369
Human Metabolome Database HMDB36560
IBM Patent System AEFCBE00602DA1D30712BEFBF548FB86 5EBA320C95583FE322936DC5ABB41D76
IBM Patents US4263208 EP1656108A2 EP1227932B1 US4540415 EP0913458A1 US20080020078 EP1969050A1 US4342320 US3997702 US20050287363 EP1806971A1 US6190687 US20020035052 US6956137 EP1529096B1 EP0279456B1 US5876898 US4360611 WO2006127738A9 EP1706092A2 US20090283722 US7226607 EP1244748A1 EP0376640A1 EP2038012A2 US4176233 US6495501 EP0312967A1 US6310154 US20020016402 US7749681 US5128234 EP0030073A1 EP1563046B1 US5330772 EP1295925A1 US6162459 EP2091549A1 EP2004791B1 EP0712420A1 US20050074509 EP0434321A2 US4837257 EP1195429A1 EP1311240A1 US4605793 WO2001074986A1 US20090214445 US20080187607 US4286362 US20030186197 EP1609777A1 EP2231769A1 US20040185144 US6100231 US5604339 EP1927651A1 WO2000027986A1 US20100239726 EP0780132A1 US6012818 US20020189847 USH1388 EP1803751A1 WO2001027230A1 WO2003054133A1 US6558692 EP1781715A2 EP2004153A2 WO2009080023A1 EP0357997B1 US20070237729 US20090054700 US3974102 EP1555277A1 US20100056743 US5834413 US4580440 US6291129 US20090169487 US5000965 US20060182950 US20070082991 US20100143397 US4205865 EP0845976A1 WO2007042682A1 WO1997024036A1 EP0312906A2 US20060087479 EP0454869B1 US4483960 EP1272574B1 EP0220686A2 EP0115635A1 US4533751 EP1610910A1 EP1299517A1 US20080166448 EP0408174A1
KEGG Ligand C09882
MolPort MolPort-004-956-468
Nikkaji J2.017F
PubChem 14896
SureChEMBL SCHEMBL13300

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