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COCONUT Compound

(+)-beta-Pinene

CNP0210402.4 · C10H16 · View on COCONUT ↗

2D Structure

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Identifiers

Name(+)-beta-Pinene
IUPAC Name(1~{R},5~{R})-6,6-dimethyl-2-methylene-norpinane
COCONUT IDCNP0210402.4
CAS19902-08-0
InChIKeyWTARULDDTDQWMU-RKDXNWHRSA-N
InChIInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
SMILESC=C1CC[C@@H]2C[C@H]1C2(C)C

Properties

Molecular FormulaC10H16
Molecular Weight136.24
Exact Mass136.12520
Log P (ALogP)3.00
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.45
NP-likeness2.97

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassPinane monoterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassMonoterpenoids

Reported in GR-MAPs Plants

Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis L.” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Chlorophytum brovillianum as “Chlorophytum borivilianum” in COCONUT

References (21)

  1. 10.1002/(sici)1099-1026(199607)11:4<251::aid-ffj577>3.0.co;2-k
  2. 10.1002/9780470744307.gat218
  3. 10.1002/PTR.2567
  4. 10.1002/ffj.1368
  5. 10.1006/ABBI.1994.1068
  6. 10.1006/ABBI.1994.1069
  7. 10.1016/0031-9422(88)83114-5
  8. 10.1016/0031-9422(93)85508-O
  9. 10.1016/0031-9422(96)00119-7
  10. 10.1016/J.CHROMA.2012.06.073
  11. 10.1016/S0021-9673(01)95765-6
  12. 10.1016/S0031-9422(00)80081-3
  13. 10.1021/JF049033E
  14. 10.1021/acs.est.7b02240
  15. 10.1021/es901034u
  16. 10.1021/jf030496e
  17. 10.1021/jf049033e
  18. 10.1155/2020/8819311
  19. 10.1186/1472-6882-14-179
  20. 10.3891/ACTA.CHEM.SCAND.22-0938
  21. 10.3891/acta.chem.scand.22-0938

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.