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Showing NP-Card for Sabinene (NP0044875)

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Record Information
Version2.0
Created at2022-03-10 18:37:02 UTC
Updated at2022-03-10 22:22:19 UTC
NP-MRD IDNP0044875
Secondary Accession NumbersNone
Natural Product Identification
Common NameSabinene
DescriptionSabinene or 4(10)-thujene, belongs to the class of organic compounds known as bicyclic monoterpenoids which contain 2 rings fused to each other. Thus, sabinene is an isoprenoid lipid molecule. It is very hydrophobic, practically insoluble in water and relatively neutral. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes is known to occur mainly through the methyl-eritritol-phosphate (MEP) pathway in plant cell plastids (PMID: 7640522 ). Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of cyclic monoterpenes. GPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. Sabinene has a citrus, pepper, and pine taste and is responsible for the spiciness of pepper. Sabinene is found in the essential oils of a variety of plants/trees including the holm oak, Norway spruce, bay laurel (Laurus nobilis). Common sage, and true nutmeg (Myristica fragrans tree; PMID: 5615546 ). Sabinene is also found in trace amounts in cannabis plants (PMID: 6991645 ). Sabinene is found in highest concentrations in nutmegs, tarragons, and sweet bay and in lower concentrations in common sages, caraway, and star anises. Sabinene has also been detected in saffrons, sunflowers, yellow bell peppers, summer savories, and pepper (C. Annuum). Sabinene can be used as flavorings, perfume additives, fine chemicals, and advanced biofuels. The microbial biosynthesis of sabinene has been well studied to facilitate the industrial production of this important compound (PMID: 29264773 ). Sabinene has some medicinal properties as it induced recovery of myotube shrinkage in fasting rats, suggesting that it may reverse muscle atrophy (PMID: 31597276 ).
Structure
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MOL3D MOLSDFPDBSMILESInChI

MOL for NP0044875 (Sabinene)


  Mrv1652309272007422D          

 10 11  0  0  0  0            999 V2000
10004.9476 9995.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8310 9996.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.0501 9997.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.3827 9997.0867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.6376 9996.3021    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.4626 9996.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.7175 9997.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8304 9997.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.0235 9997.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.0849 9998.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  1  2  0  0  0  0
  4  2  1  1  0  0  0
  5  2  1  1  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
Download

3D MOL for NP0044875 (Sabinene)

     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.4303   -0.2652   -0.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1971    0.0034   -0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7736    0.4887    1.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3394    0.0740    1.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1803   -0.2333   -0.0967 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5478    0.2865   -0.4452 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5531   -0.8112   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9177    1.5454    0.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2645   -1.4255   -0.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9685   -0.1212   -0.9944 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6787   -0.6227   -1.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2430   -0.1317    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8590    1.6102    1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762    0.0742    1.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -0.7723    1.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2224    0.9411    1.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6118    0.5057   -1.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987   -1.0186    0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2274   -1.7378   -0.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5617   -0.5282   -0.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8119    1.9735   -0.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1131    2.2977    0.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1792    1.4068    1.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7722   -2.2800   -0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3299   -1.7505   -1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    0.4912   -1.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0
  6  8  1  0
  5  6  1  0
  5  9  1  1
  9 10  1  0
 10  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  1  0
 10  5  1  0
  4  5  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
  6 17  1  6
  8 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
  9 25  1  0
 10 26  1  6
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
M  END
Download

3D SDF for NP0044875 (Sabinene)


  Mrv1652309272007422D          

 10 11  0  0  0  0            999 V2000
10004.9476 9995.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8310 9996.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.0501 9997.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.3827 9997.0867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.6376 9996.3021    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.4626 9996.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.7175 9997.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8304 9997.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.0235 9997.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.0849 9998.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  1  2  0  0  0  0
  4  2  1  1  0  0  0
  5  2  1  1  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044875

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@@]12C[C@@H]1C(=C)CC2

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1

> <INCHI_KEY>
NDVASEGYNIMXJL-NXEZZACHSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.238

> <EXACT_MASS>
136.125200515

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.24278988407945

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,5R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane

> <ALOGPS_LOGP>
3.04

> <JCHEM_LOGP>
2.859595116666666

> <ALOGPS_LOGS>
-3.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
43.6498

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.40e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-sabinene

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for NP0044875 (Sabinene)

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PDB for NP0044875 (Sabinene)
HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8675.9028658.518   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8671.9518660.083   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8674.2278662.134   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8672.9818661.229   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8673.4578659.764   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8674.9978659.764   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8675.4738661.229   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8671.9508662.372   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8670.4448662.052   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8672.4258663.837   0.000  0.00  0.00           C+0
CONECT    1    6                                                            
CONECT    2    4    5                                                       
CONECT    3    4    7                                                       
CONECT    4    3    5    2    8                                             
CONECT    5    4    6    2                                                  
CONECT    6    5    7    1                                                  
CONECT    7    3    6                                                       
CONECT    8    4    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   22    0
END

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3D PDB for NP0044875 (Sabinene)
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SMILES for NP0044875 (Sabinene)
CC(C)[C@@]12C[C@@H]1C(=C)CC2
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INCHI for NP0044875 (Sabinene)
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1
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View in JSmol
Synonyms
ValueSource
(1R,5R)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexaneChEBI
(1R,5R)-SabineneChEBI
(+)-SabineneHMDB
(1R,5R)-(+)-4(10)-ThujeneHMDB
(1R,5R)-(+)-SabineneHMDB
(1R,5R)-4-Methylene-1-(1-methylethyl)bicyclo[3.1.0]hexaneHMDB
1-Isopropyl-4-methylenebicyclo[3.1.0]hexaneHMDB
4(10)-ThujeneHMDB
4-Methylene-1-(1-methylethyl)bicyclo[3.1.0]hexaneHMDB
SabeneneHMDB
SabinenHMDB
SabineneHMDB
(+)-4(10)-ThujeneHMDB
d-4(10)-ThujenePhytoBank
d-SabinenePhytoBank
Chemical FormulaC10H16
Average Mass136.2380 Da
Monoisotopic Mass136.12520 Da
IUPAC Name(1R,5R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane
Traditional Name(+)-sabinene
CAS Registry Number2009-00-9
SMILES
CC(C)[C@@]12C[C@@H]1C(=C)CC2
InChI Identifier
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1
InChI KeyNDVASEGYNIMXJL-NXEZZACHSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Abies sachalinensisLOTUS Database
Achillea abrotanoidesLOTUS Database
Achillea ageratumLOTUS Database
Achillea fragrantissimaLOTUS Database
Achillea grandifoliaLOTUS Database
Achillea millefoliumLOTUS Database
Achillea nanaLOTUS Database
Acorus calamusLOTUS Database
Actaea japonicaLOTUS Database
Aegle marmelosLOTUS Database
Aframomum angustifoliumLOTUS Database
Aframomum meleguetaLOTUS Database
Agathosma betulinaLOTUS Database
Ageratum conyzoidesLOTUS Database
Aloysia citrodoraLOTUS Database
Aloysia gratissimaLOTUS Database
Aloysia triphyllaLOTUS Database
Alpinia conchigeraLOTUS Database
Alpinia galangaLOTUS Database
Alpinia zerumbetLOTUS Database
Ambrosia artemisiifoliaLOTUS Database
Anethum graveolensLOTUS Database
Angelica archangelicaLOTUS Database
Annona squamosaLOTUS Database
Anthemis aciphyllaLOTUS Database
Artemisia absinthiumLOTUS Database
Artemisia albaLOTUS Database
Artemisia annuaLOTUS Database
Artemisia arborescensLOTUS Database
Artemisia campestrisLOTUS Database
Artemisia halophilaLOTUS Database
Artemisia herba-albaLOTUS Database
Artemisia lagocephalaLOTUS Database
Artemisia rubripesLOTUS Database
Artemisia salsoloidesLOTUS Database
Artemisia sericeaLOTUS Database
Artemisia thusculaLOTUS Database
Artemisia tridentataLOTUS Database
Artemisia vulgarisLOTUS Database
Artemisia xerophyticaLOTUS Database
Arum maculatumLOTUS Database
Asarum canadenseLOTUS Database
Aster scaberLOTUS Database
Atalantia buxifoliaLOTUS Database
Atalantia monophyllaLOTUS Database
Athamanta macedonicaLOTUS Database
Aucoumea klaineanaLOTUS Database
Austrobaileya scandensLOTUS Database
Baccharis dracunculifoliaLOTUS Database
Baccharis linearifoliaLOTUS Database
Betonica macranthaLOTUS Database
Blepharocalyx tweedieiLOTUS Database
Boronia latipinnaLOTUS Database
Boswellia sacraLOTUS Database
Brassica junceaLOTUS Database
Brassica napusLOTUS Database
Bunium persicumLOTUS Database
Bupleurum fruticescensLOTUS Database
Bupleurum fruticosumLOTUS Database
Bupleurum gibraltaricumLOTUS Database
Callistemon linearisLOTUS Database
Canella winteranaLOTUS Database
Cannabis sativaNULL
      Not Available
Cantinoa americanaLOTUS Database
Cantinoa mutabilisLOTUS Database
Capsicum annuumFooDB
Carum carviLOTUS Database
Centratherum punctatumLOTUS Database
Chamaecyparis obtusaLOTUS Database
Chamaecyparis pisiferaLOTUS Database
Chamaemelum nobileLOTUS Database
Chromolaena odorataLOTUS Database
Cinnamomum sieboldiiLOTUS Database
Cinnamomum verumLOTUS Database
Citrus aurantiumLOTUS Database
Citrus hystrixLOTUS Database
Citrus junosLOTUS Database
Citrus limonLOTUS Database
Citrus medicaLOTUS Database
Citrus reticulataFooDB
Citrus sinensisLOTUS Database
Citrus trifoliataLOTUS Database
Citrus unshiuLOTUS Database
Citrus wilsoniiLOTUS Database
Cleonia lusitanicaLOTUS Database
Clinopodium browneiLOTUS Database
Clinopodium carolinianumLOTUS Database
Clinopodium grandiflorumLOTUS Database
Clinopodium serpyllifoliumLOTUS Database
Commiphora gurrehLOTUS Database
Conocephalum conicumLOTUS Database
Conyza sumatrensisLOTUS Database
Coriandrum sativumLOTUS Database
Crithmum maritimumLOTUS Database
Croton conduplicatusLOTUS Database
Croton sarcopetalusLOTUS Database
Cryptomeria japonicaLOTUS Database
Cryptotaenia japonicaLOTUS Database
Cuminum cyminumLOTUS Database
Cunila microcephalaLOTUS Database
Curcuma longaLOTUS Database
Curcuma pierreanaLOTUS Database
Cyclotrichium niveumLOTUS Database
Cymbopogon flexuosusLOTUS Database
Cymbopogon nardusLOTUS Database
Dacrydium nidulumLOTUS Database
Daucus carotaLOTUS Database
Diplotaenia cachrydifoliaLOTUS Database
Dracocephalum aucheriLOTUS Database
Echinophora tenuifoliaLOTUS Database
Ekimia bornmuelleriLOTUS Database
Elettaria cardamomumLOTUS Database
Elsholtzia ciliataLOTUS Database
Elsholtzia fruticosaLOTUS Database
Elsholtzia pilosaLOTUS Database
Entandrophragma cylindricumLOTUS Database
Espeletia timotensisLOTUS Database
Eucalyptus delegatensisLOTUS Database
Eucalyptus dolichorhynchaLOTUS Database
Eucalyptus fasciculosaLOTUS Database
Eucalyptus radiataLOTUS Database
Eugenia dysentericaLOTUS Database
Ferula assa-foetidaLOTUS Database
Ferulago nodosaLOTUS Database
Ferulago trachycarpaLOTUS Database
Ficus caricaLOTUS Database
Foeniculum vulgareLOTUS Database
Glehnia littoralisLOTUS Database
Hedychium spicatumLOTUS Database
Hedyosmum bonplandianumLOTUS Database
Heracleum dissectumLOTUS Database
Heracleum persicumLOTUS Database
Hesperis matronalisLOTUS Database
Hesperozygis rhododonLOTUS Database
Heterotheca subaxillarisLOTUS Database
Humulus lupulusLOTUS Database
Hypericum triquetrifoliumLOTUS Database
Hyptis suaveolensLOTUS Database
Hyssopus officinalis L.LOTUS Database
Hyssopus seravschanicusLOTUS Database
Illicium verumLOTUS Database
Juglans nigraLOTUS Database
Juniperus communisLOTUS Database
Juniperus drupaceaLOTUS Database
Juniperus excelsaLOTUS Database
Juniperus foetidissimaLOTUS Database
Juniperus graciliorLOTUS Database
Juniperus jaliscanaLOTUS Database
Juniperus monticolaLOTUS Database
Juniperus sabinaPlant
Laggera alataLOTUS Database
Lantana camaraLOTUS Database
Larix laricinaLOTUS Database
Laserpitium petrophilumLOTUS Database
Laurus nobilisLOTUS Database
Lavandula angustifoliaLOTUS Database
Lavandula latifoliaLOTUS Database
Lavandula stoechasLOTUS Database
Leonotis leonurusLOTUS Database
Lepechinia chamaedryoidesLOTUS Database
Leutea petiolarisLOTUS Database
Levisticum officinaleLOTUS Database
Libocedrus bidwilliiLOTUS Database
Ligusticum sinenseLOTUS Database
Liquidambar styracifluaLOTUS Database
Litchi chinensisLOTUS Database
Litsea glaucescensLOTUS Database
Mangifera indicaLOTUS Database
Melaleuca alternifoliaLOTUS Database
Melaleuca linariifoliaLOTUS Database
Mentha aquaticaLOTUS Database
Mentha piperitaLOTUS Database
Mentha rotundifoliaLOTUS Database
Mentha spicataLOTUS Database
Mentha verticillataLOTUS Database
Mesosphaerum sidifoliumLOTUS Database
Micromeria cristataLOTUS Database
Micromeria croaticaLOTUS Database
Micromeria maderensisLOTUS Database
Micromeria myrtifoliaLOTUS Database
Mikania cordifoliaLOTUS Database
Minthostachys andinaLOTUS Database
Minthostachys mollisLOTUS Database
Molopospermum peloponnesiacumLOTUS Database
Mosla cavalerieiLOTUS Database
Mosla chinensisLOTUS Database
Myristica fragransFooDB
Myrtus communisLOTUS Database
Nasutitermes ephrataeLOTUS Database
Nelumbo luteaLOTUS Database
Nepeta crispaLOTUS Database
Nepeta nudaLOTUS Database
Nepeta racemosaLOTUS Database
Nicotiana bonariensisLOTUS Database
Ocimum americanumLOTUS Database
Ocimum basilicumLOTUS Database
Ocimum campechianumLOTUS Database
Ocimum gratissimumLOTUS Database
Oenanthe aquaticaLOTUS Database
Origanum acutidensLOTUS Database
Origanum cordifoliumLOTUS Database
Origanum hypericifoliumLOTUS Database
Origanum laevigatumLOTUS Database
Origanum majoranaLOTUS Database
Origanum majoricumLOTUS Database
Origanum minutiflorumLOTUS Database
Origanum sipyleumLOTUS Database
Origanum syriacumLOTUS Database
Origanum vulgareLOTUS Database
Parthenium argentatumLOTUS Database
Parthenium hysterophorusLOTUS Database
Pelargonium citronellumLOTUS Database
Pelargonium endlicherianumLOTUS Database
Pelargonium quercifoliumLOTUS Database
Perilla frutescensLOTUS Database
Persea americanaLOTUS Database
Petroselinum crispumLOTUS Database
Peucedanum oreoselinumLOTUS Database
Peucedanum zenkeriLOTUS Database
Picea abiesLOTUS Database
Picea schrenkianaLOTUS Database
Pimenta racemosaLOTUS Database
Pimpinella anisumLOTUS Database
Pimpinella serbicaLOTUS Database
Pinus caribaeaLOTUS Database
Pinus cembraLOTUS Database
Pinus contortaLOTUS Database
Pinus flexilisLOTUS Database
Pinus longaevaLOTUS Database
Pinus merkusiiLOTUS Database
Pinus remotaLOTUS Database
Pinus sylvestrisLOTUS Database
Pinus taedaPlant
Piper arboreumLOTUS Database
Piper auritumLOTUS Database
Piper fimbriulatumLOTUS Database
Piper guineenseLOTUS Database
Piper marginatumLOTUS Database
Piper regnelliiLOTUS Database
Piper sylvestreLOTUS Database
Pistacia veraLOTUS Database
Pittosporum eugenioidesLOTUS Database
Pittosporum viridiflorumLOTUS Database
Plagiochila rutilansLOTUS Database
Platycladus orientalisLOTUS Database
Poliomintha incanaLOTUS Database
Porophyllum ruderaleLOTUS Database
Prangos ulopteraLOTUS Database
Pteronia incanaLOTUS Database
Pycnanthemum floridanumLOTUS Database
Quercus ilexLOTUS Database
Rhanterium epapposumLOTUS Database
Rhodiola roseaLOTUS Database
Salvia absconditifloraLOTUS Database
Salvia caespitosaLOTUS Database
Salvia dorisianaLOTUS Database
Salvia fruticosaLOTUS Database
Salvia hydrangeaLOTUS Database
Salvia officinalisPlant
Salvia pomiferaLOTUS Database
Salvia rosmarinusLOTUS Database
Salvia sclareaLOTUS Database
Santolina chamaecyparissusLOTUS Database
Santolina insularisLOTUS Database
Santolina rosmarinifoliaLOTUS Database
Satureja cuneifoliaLOTUS Database
Satureja spicigeraLOTUS Database
Scalesia pedunculataLOTUS Database
Schinus molleLOTUS Database
Sequoia sempervirensLOTUS Database
Sequoiadendron giganteumLOTUS Database
Sideritis athoaLOTUS Database
Sideritis chamaedrifoliaLOTUS Database
Sideritis leucanthaLOTUS Database
Sideritis perfoliataLOTUS Database
Sideritis pungensLOTUS Database
Sideritis tragoriganumLOTUS Database
Solanum stuckertiiLOTUS Database
Solidago canadensisLOTUS Database
Steganotaenia araliaceaLOTUS Database
Stevia rebaudianaLOTUS Database
Syzygium nervosumLOTUS Database
Tagetes minutaLOTUS Database
Tanacetum millefoliumLOTUS Database
Tanacetum partheniumLOTUS Database
Tanacetum vulgareLOTUS Database
Tessaria fastigiataLOTUS Database
Teucrium asiaticumLOTUS Database
Teucrium cypriumLOTUS Database
Teucrium leucocladumLOTUS Database
Teucrium poliumLOTUS Database
Teucrium sandrasicumLOTUS Database
Thuja occidentalisLOTUS Database
Thuja plicataLOTUS Database
Thuja standishiiLOTUS Database
Thujopsis dolabrataLOTUS Database
Thymbra capitataLOTUS Database
Thymus citriodorusLOTUS Database
Thymus eigiiLOTUS Database
Thymus longicaulisLOTUS Database
Thymus revolutusLOTUS Database
Thymus sibthorpiiLOTUS Database
Thymus vulgarisLOTUS Database
Thymus zygioidesLOTUS Database
Tilesia baccataLOTUS Database
Tithonia diversifoliaLOTUS Database
Trachyspermum ammiLOTUS Database
Trachyspermum roxburghianumLOTUS Database
Trichostema dichotomumLOTUS Database
Umbellularia californicaLOTUS Database
Uvaria chamaeLOTUS Database
Valeriana officinalisLOTUS Database
Virola surinamensisLOTUS Database
Vitex agnus-castusLOTUS Database
Vitex negundoLOTUS Database
Vitex trifoliaLOTUS Database
Xenophyllum poposumLOTUS Database
Xylopia aethiopicaLOTUS Database
Xylopia aromaticaLOTUS Database
Zanthoxylum chalybeumLOTUS Database
Zanthoxylum piperitumLOTUS Database
Zanthoxylum schinifoliumLOTUS Database
Zanthoxylum simulansLOTUS Database
Zanthoxylum zanthoxyloidesLOTUS Database
Zingiber miogaLOTUS Database
Zingiber montanumLOTUS Database
Zingiber officinaleLOTUS Database
Zingiber zerumbetLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
KingdomOrganic compounds  
Super ClassLipids and lipid-like molecules  
ClassPrenol lipids  
Sub ClassMonoterpenoids  
Direct ParentBicyclic monoterpenoids  
Alternative Parents
Substituents
  • Bicyclic monoterpenoid
    • 

  • Thujane monoterpenoid
    • 

  • Branched unsaturated hydrocarbon
    • 

  • Polycyclic hydrocarbon
    • 

  • Cyclic olefin
    • 

  • Unsaturated aliphatic hydrocarbon
    • 

  • Unsaturated hydrocarbon
    • 

  • Olefin
    • 

  • Hydrocarbon
    • 

  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP3.04ALOGPS
logP2.86ChemAxon
logS-3.3ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity43.65 m³·mol⁻¹ChemAxon
Polarizability17.24 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0036076  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB014908  
KNApSAcK IDC00000857  
Chemspider ID9063235  
KEGG Compound IDC20230  
BioCyc IDCPD-14013  
BiGG IDNot Available
Wikipedia LinkSabinene  
METLIN IDNot Available
PubChem Compound10887971  
PDB IDNot Available
ChEBI ID50029  
Good Scents IDNot Available
References
General References
  1. Cao Y, Zhang H, Liu H, Liu W, Zhang R, Xian M, Liu H: Biosynthesis and production of sabinene: current state and perspectives. Appl Microbiol Biotechnol. 2018 Feb;102(4):1535-1544. doi: 10.1007/s00253-017-8695-5. Epub 2017 Dec 20. [PubMed:29264773  ] 
  2. Ryu Y, Lee D, Jung SH, Lee KJ, Jin H, Kim SJ, Lee HM, Kim B, Won KJ: Sabinene Prevents Skeletal Muscle Atrophy by Inhibiting the MAPK-MuRF-1 Pathway in Rats. Int J Mol Sci. 2019 Oct 8;20(19). pii: ijms20194955. doi: 10.3390/ijms20194955. [PubMed:31597276  ]