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COCONUT Compound

(-)-beta-Pinene

CNP0210402.3 · C10H16 · View on COCONUT ↗

2D Structure

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Identifiers

Name(-)-beta-Pinene
IUPAC Name(1~{S},5~{S})-6,6-dimethyl-2-methylene-norpinane
COCONUT IDCNP0210402.3
CAS18172-67-3
InChIKeyWTARULDDTDQWMU-IUCAKERBSA-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-/m0/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
Catharanthus roseus as “Catharanthus roseus” in COCONUT
Centella asiatica as “Centella asiatica” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia annua; Artemisia annua L.cultivar Jwarharti” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Mentha piperita as “Mentha piperita; Mentha piperita L.” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis; Rosmarinus officinalis L.” in COCONUT
Zingiber zerumbet as “Zingiber zerumbet Smith” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis; Hyssopus officinalis L.” in COCONUT
Azadirachta indica as “Azadirachta indica” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (176)

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Showing 40 of 176. See all references on COCONUT.

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.