NP-MRD: Showing NP-Card for zingiberene (NP0030537)

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Record Information

Version

2.0

Created at

2021-06-19 21:52:15 UTC

Updated at

2021-08-20 00:00:18 UTC

NP-MRD ID

NP0030537

Secondary Accession Numbers

None

Natural Product Identification

Common Name

zingiberene

Provided By

JEOL Database JEOL Logo

Description

Zingiberene, also known as alpha-zingiberene, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Thus, zingiberene is considered to be an isoprenoid. zingiberene is found in Achyrospermum africanum, Alpinia densibracteata T. L., Artemisia gmelinii, Bahia ambrosioides, Calea jamaicensis, Carica papaya , Chaerophyllum azoricum, Chrysanthemum indicum, Cinnamomum sieboldii, Gundelia tournefortii, Helichrysum odoratissimum, Humulus lupulus, Lantana strigocamara, Litchi chinensis, Ocimum sanctum , Onoseris onoseroides, Pelargonium endlicherianum, Rhanterium epapposum, Rugelia nudicaulis, Salvia aurea, Sideritis montana, Solanum agrimoniifolium, Solidago canadensis, Swertia japonica, Vitex agnus-castus and Zanthoxylum simulans. zingiberene was first documented in 2021 (PMID: 34290338). Based on a literature review very few articles have been published on Zingiberene (PMID: 34121027) (PMID: 34072598) (PMID: 33915043) (PMID: 33800364).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192123523D          

 39 39  0  0  0  0            999 V2000
   -1.7415   -1.1051    2.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3242   -1.2484    2.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0335   -2.5732    1.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5573   -0.2414    2.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9999   -0.1862    2.0478 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2963    0.9948    1.1108 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5693    0.9517   -0.2558 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9958   -0.2766   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504    2.2643   -1.0862 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1964    2.5425   -1.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8855    3.5764   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    4.5093    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100    5.5068    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703    4.4759    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505    3.4784   -0.4118 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4445   -1.2165    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9260   -0.1292    3.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -1.8732    3.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -2.6963    1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511   -2.6954    0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668   -3.3892    2.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    0.6650    2.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033   -0.0595    2.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3446   -1.1174    1.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356    1.9188    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.0290    0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4916    0.8454   -0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0835   -0.3337   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5523   -0.2521   -2.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6593   -1.2029   -0.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    2.1074   -2.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858    1.8689   -2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9221    3.7296   -1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9873    4.9965    1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6946    6.1295   -0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6738    6.1746    1.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152    5.1934    0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736    4.0197   -1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3176    3.1346    0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  2  0  0  0  0
  9  7  1  0  0  0  0
 11 12  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
  7  6  1  0  0  0  0
  9 15  1  0  0  0  0
  6  5  1  0  0  0  0
 15 14  1  0  0  0  0
  5  4  1  0  0  0  0
 14 12  2  0  0  0  0
  4  2  2  3  0  0  0
  2  1  1  0  0  0  0
 12 13  1  0  0  0  0
  2  3  1  0  0  0  0
 11 33  1  0  0  0  0
 10 32  1  0  0  0  0
  9 31  1  6  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 14 37  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
  7 27  1  1  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  4 22  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END

     RDKit          3D

 39 39  0  0  0  0  0  0  0  0999 V2000
   -1.7415   -1.1051    2.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3242   -1.2484    2.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0335   -2.5732    1.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5573   -0.2414    2.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9999   -0.1862    2.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963    0.9948    1.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    0.9517   -0.2558 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9958   -0.2766   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504    2.2643   -1.0862 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1964    2.5425   -1.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8855    3.5764   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    4.5093    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100    5.5068    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703    4.4759    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505    3.4784   -0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445   -1.2165    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9260   -0.1292    3.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -1.8732    3.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -2.6963    1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511   -2.6954    0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668   -3.3892    2.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    0.6650    2.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033   -0.0595    2.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3446   -1.1174    1.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356    1.9188    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.0290    0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4916    0.8454   -0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0835   -0.3337   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5523   -0.2521   -2.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6593   -1.2029   -0.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    2.1074   -2.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858    1.8689   -2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9221    3.7296   -1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9873    4.9965    1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6946    6.1295   -0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6738    6.1746    1.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152    5.1934    0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736    4.0197   -1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3176    3.1346    0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  2  0
  9  7  1  0
 11 12  1  0
  7  8  1  0
 10  9  1  0
  7  6  1  0
  9 15  1  0
  6  5  1  0
 15 14  1  0
  5  4  1  0
 14 12  2  0
  4  2  2  3
  2  1  1  0
 12 13  1  0
  2  3  1  0
 11 33  1  0
 10 32  1  0
  9 31  1  6
 15 38  1  0
 15 39  1  0
 14 37  1  0
 13 34  1  0
 13 35  1  0
 13 36  1  0
  7 27  1  1
  8 28  1  0
  8 29  1  0
  8 30  1  0
  6 25  1  0
  6 26  1  0
  5 23  1  0
  5 24  1  0
  4 22  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  3 20  1  0
  3 21  1  0
M  END


  Mrv1652306192123523D          

 39 39  0  0  0  0            999 V2000
   -1.7415   -1.1051    2.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3242   -1.2484    2.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0335   -2.5732    1.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5573   -0.2414    2.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9999   -0.1862    2.0478 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2963    0.9948    1.1108 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5693    0.9517   -0.2558 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9958   -0.2766   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504    2.2643   -1.0862 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1964    2.5425   -1.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8855    3.5764   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    4.5093    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100    5.5068    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703    4.4759    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505    3.4784   -0.4118 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4445   -1.2165    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9260   -0.1292    3.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -1.8732    3.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -2.6963    1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511   -2.6954    0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668   -3.3892    2.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    0.6650    2.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033   -0.0595    2.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3446   -1.1174    1.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356    1.9188    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.0290    0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4916    0.8454   -0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0835   -0.3337   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5523   -0.2521   -2.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6593   -1.2029   -0.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    2.1074   -2.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858    1.8689   -2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9221    3.7296   -1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9873    4.9965    1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6946    6.1295   -0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6738    6.1746    1.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152    5.1934    0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736    4.0197   -1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3176    3.1346    0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  2  0  0  0  0
  9  7  1  0  0  0  0
 11 12  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
  7  6  1  0  0  0  0
  9 15  1  0  0  0  0
  6  5  1  0  0  0  0
 15 14  1  0  0  0  0
  5  4  1  0  0  0  0
 14 12  2  0  0  0  0
  4  2  2  3  0  0  0
  2  1  1  0  0  0  0
 12 13  1  0  0  0  0
  2  3  1  0  0  0  0
 11 33  1  0  0  0  0
 10 32  1  0  0  0  0
  9 31  1  6  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 14 37  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
  7 27  1  1  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  4 22  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0030537

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]1([H])C([H])=C([H])C(=C([H])C1([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3/t14-,15+/m0/s1

> <INCHI_KEY>
KKOXKGNSUHTUBV-LSDHHAIUSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.38605689744741

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene

> <ALOGPS_LOGP>
5.77

> <JCHEM_LOGP>
4.8652510809999985

> <ALOGPS_LOGS>
-4.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
71.622

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.31e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zingiberene

> <JCHEM_VEBER_RULE>
1

$$$$

     RDKit          3D

 39 39  0  0  0  0  0  0  0  0999 V2000
   -1.7415   -1.1051    2.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3242   -1.2484    2.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0335   -2.5732    1.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5573   -0.2414    2.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9999   -0.1862    2.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963    0.9948    1.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    0.9517   -0.2558 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9958   -0.2766   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504    2.2643   -1.0862 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1964    2.5425   -1.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8855    3.5764   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    4.5093    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100    5.5068    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703    4.4759    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505    3.4784   -0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445   -1.2165    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9260   -0.1292    3.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -1.8732    3.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -2.6963    1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511   -2.6954    0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668   -3.3892    2.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    0.6650    2.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033   -0.0595    2.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3446   -1.1174    1.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356    1.9188    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.0290    0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4916    0.8454   -0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0835   -0.3337   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5523   -0.2521   -2.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6593   -1.2029   -0.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    2.1074   -2.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858    1.8689   -2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9221    3.7296   -1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9873    4.9965    1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6946    6.1295   -0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6738    6.1746    1.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152    5.1934    0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736    4.0197   -1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3176    3.1346    0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  2  0
  9  7  1  0
 11 12  1  0
  7  8  1  0
 10  9  1  0
  7  6  1  0
  9 15  1  0
  6  5  1  0
 15 14  1  0
  5  4  1  0
 14 12  2  0
  4  2  2  3
  2  1  1  0
 12 13  1  0
  2  3  1  0
 11 33  1  0
 10 32  1  0
  9 31  1  6
 15 38  1  0
 15 39  1  0
 14 37  1  0
 13 34  1  0
 13 35  1  0
 13 36  1  0
  7 27  1  1
  8 28  1  0
  8 29  1  0
  8 30  1  0
  6 25  1  0
  6 26  1  0
  5 23  1  0
  5 24  1  0
  4 22  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  3 20  1  0
  3 21  1  0
M  END

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  C   UNK     0      -1.742  -1.105   2.808  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.324  -1.248   2.315  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.034  -2.573   1.667  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.557  -0.241   2.472  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.000  -0.186   2.048  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.296   0.995   1.111  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.569   0.952  -0.256  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.996  -0.277  -1.074  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.750   2.264  -1.086  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.196   2.543  -1.438  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.886   3.576  -0.935  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.292   4.509   0.001  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.210   5.507   0.642  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.970   4.476   0.239  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.050   3.478  -0.412  0.00  0.00           C+0
HETATM   16  H   UNK     0      -2.445  -1.216   1.976  0.00  0.00           H+0
HETATM   17  H   UNK     0      -1.926  -0.129   3.270  0.00  0.00           H+0
HETATM   18  H   UNK     0      -1.962  -1.873   3.557  0.00  0.00           H+0
HETATM   19  H   UNK     0       1.009  -2.696   1.367  0.00  0.00           H+0
HETATM   20  H   UNK     0      -0.651  -2.695   0.771  0.00  0.00           H+0
HETATM   21  H   UNK     0      -0.267  -3.389   2.359  0.00  0.00           H+0
HETATM   22  H   UNK     0       0.215   0.665   2.974  0.00  0.00           H+0
HETATM   23  H   UNK     0       2.603  -0.060   2.956  0.00  0.00           H+0
HETATM   24  H   UNK     0       2.345  -1.117   1.594  0.00  0.00           H+0
HETATM   25  H   UNK     0       2.036   1.919   1.640  0.00  0.00           H+0
HETATM   26  H   UNK     0       3.381   1.029   0.948  0.00  0.00           H+0
HETATM   27  H   UNK     0       0.492   0.845  -0.073  0.00  0.00           H+0
HETATM   28  H   UNK     0       3.083  -0.334  -1.184  0.00  0.00           H+0
HETATM   29  H   UNK     0       1.552  -0.252  -2.075  0.00  0.00           H+0
HETATM   30  H   UNK     0       1.659  -1.203  -0.600  0.00  0.00           H+0
HETATM   31  H   UNK     0       1.222   2.107  -2.038  0.00  0.00           H+0
HETATM   32  H   UNK     0       3.686   1.869  -2.136  0.00  0.00           H+0
HETATM   33  H   UNK     0       4.922   3.730  -1.223  0.00  0.00           H+0
HETATM   34  H   UNK     0       4.987   4.997   1.221  0.00  0.00           H+0
HETATM   35  H   UNK     0       4.695   6.130  -0.118  0.00  0.00           H+0
HETATM   36  H   UNK     0       3.674   6.175   1.325  0.00  0.00           H+0
HETATM   37  H   UNK     0       1.515   5.193   0.916  0.00  0.00           H+0
HETATM   38  H   UNK     0       0.474   4.020  -1.174  0.00  0.00           H+0
HETATM   39  H   UNK     0       0.318   3.135   0.328  0.00  0.00           H+0
CONECT    1    2   16   17   18                                             
CONECT    2    4    1    3                                                  
CONECT    3    2   19   20   21                                             
CONECT    4    5    2   22                                                  
CONECT    5    6    4   23   24                                             
CONECT    6    7    5   25   26                                             
CONECT    7    9    8    6   27                                             
CONECT    8    7   28   29   30                                             
CONECT    9    7   10   15   31                                             
CONECT   10   11    9   32                                                  
CONECT   11   10   12   33                                                  
CONECT   12   11   14   13                                                  
CONECT   13   12   34   35   36                                             
CONECT   14   15   12   37                                                  
CONECT   15    9   14   38   39                                             
CONECT   16    1                                                            
CONECT   17    1                                                            
CONECT   18    1                                                            
CONECT   19    3                                                            
CONECT   20    3                                                            
CONECT   21    3                                                            
CONECT   22    4                                                            
CONECT   23    5                                                            
CONECT   24    5                                                            
CONECT   25    6                                                            
CONECT   26    6                                                            
CONECT   27    7                                                            
CONECT   28    8                                                            
CONECT   29    8                                                            
CONECT   30    8                                                            
CONECT   31    9                                                            
CONECT   32   10                                                            
CONECT   33   11                                                            
CONECT   34   13                                                            
CONECT   35   13                                                            
CONECT   36   13                                                            
CONECT   37   14                                                            
CONECT   38   15                                                            
CONECT   39   15                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   78    0
END

RDKit          3D

39 39  0  0  0  0  0  0  0  0999 V2000
   -1.7415   -1.1051    2.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3242   -1.2484    2.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0335   -2.5732    1.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5573   -0.2414    2.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9999   -0.1862    2.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963    0.9948    1.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    0.9517   -0.2558 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9958   -0.2766   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504    2.2643   -1.0862 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1964    2.5425   -1.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8855    3.5764   -0.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2921    4.5093    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2100    5.5068    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9703    4.4759    0.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505    3.4784   -0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445   -1.2165    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9260   -0.1292    3.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -1.8732    3.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -2.6963    1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6511   -2.6954    0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668   -3.3892    2.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    0.6650    2.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033   -0.0595    2.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3446   -1.1174    1.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356    1.9188    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.0290    0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4916    0.8454   -0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0835   -0.3337   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5523   -0.2521   -2.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6593   -1.2029   -0.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    2.1074   -2.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858    1.8689   -2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9221    3.7296   -1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9873    4.9965    1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6946    6.1295   -0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6738    6.1746    1.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152    5.1934    0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736    4.0197   -1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3176    3.1346    0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  2  0
  9  7  1  0
 11 12  1  0
  7  8  1  0
 10  9  1  0
  7  6  1  0
  9 15  1  0
  6  5  1  0
 15 14  1  0
  5  4  1  0
 14 12  2  0
  4  2  2  3
  2  1  1  0
 12 13  1  0
  2  3  1  0
 11 33  1  0
 10 32  1  0
  9 31  1  6
 15 38  1  0
 15 39  1  0
 14 37  1  0
 13 34  1  0
 13 35  1  0
 13 36  1  0
  7 27  1  1
  8 28  1  0
  8 29  1  0
  8 30  1  0
  6 25  1  0
  6 26  1  0
  5 23  1  0
  5 24  1  0
  4 22  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  3 20  1  0
  3 21  1  0
M  END

View in JSmol

Synonyms

Value	Source
(-)-alpha-Zingiberene	ChEBI
(-)-Zingiberene	ChEBI
(5R)-5-[(1S)-1,5-Dimethyl-4-hexenyl]-2-methyl-1,3-cyclohexadiene	ChEBI
alpha-Zingiberene	ChEBI
(-)-a-Zingiberene	Generator
(-)-Α-zingiberene	Generator
a-Zingiberene	Generator
Α-zingiberene	Generator

Chemical Formula

C₁₅H₂₄

Average Mass

204.3570 Da

Monoisotopic Mass

204.18780 Da

IUPAC Name

(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene

Traditional Name

zingiberene

CAS Registry Number

Not Available

SMILES

[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]1([H])C([H])=C([H])C(=C([H])C1([H])[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3/t14-,15+/m0/s1

InChI Key

KKOXKGNSUHTUBV-LSDHHAIUSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Achyrospermum africanum	LOTUS Database	35616633
Alpinia densibracteata T. L.	JEOL database	Sy, L. -K., et al, Magn. Reson. Chem. 35, 424 (1997)
Anthemis aciphylla BOISS.var.discoidea BOISS	KNApSAcK Database	22123792
Artemisia gmelinii	LOTUS Database	35616633
Bahia ambrosioides	LOTUS Database	35616633
Calea jamaicensis	LOTUS Database	35616633
Carica papaya	KNApSAcK Database	22123792
Carica papaya L.	Plant	KNApSAcK
Chaerophyllum azoricum	LOTUS Database	35616633
Chrysanthemum indicum	LOTUS Database	35616633
Cinnamomum sieboldii	LOTUS Database	35616633
Cistus albidus	KNApSAcK Database	22123792
Curcuma amanda Roxb	KNApSAcK Database	22123792
Curcuma domestica	KNApSAcK Database	22123792
Curcuma longa	KNApSAcK Database	22123792
Curcuma phaeocaulis	KNApSAcK Database	22123792
Curcuma spp.	KNApSAcK Database	22123792
Curcuma zedoaria	KNApSAcK Database	22123792
Daucus carota ssp. sativus	FooDB	12926889
Gundelia tournefortii	LOTUS Database	35616633
Helichrysum odoratissimum	LOTUS Database	35616633
Humulus lupulus	LOTUS Database	35616633
Lantana strigocamara	LOTUS Database	35616633
Litchi chinensis	LOTUS Database	35616633
Murraya exotica	KNApSAcK Database	22123792
Murraya paniculata	KNApSAcK Database	22123792
Ocimum basilicum	KNApSAcK Database	22123792
Ocimum sanctum	KNApSAcK Database	22123792
Ocimum tenuiflorum	Plant	KNApSAcK
Onoseris onoseroides	LOTUS Database	35616633
Pelargonium endlicherianum	LOTUS Database	35616633
Petasites albus	KNApSAcK Database	22123792
Petasites hybridus	KNApSAcK Database	22123792
Pimpinella anisum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pinus halepensis	KNApSAcK Database	22123792
Piper longum	KNApSAcK Database	22123792
Piper nigrum	KNApSAcK Database	22123792
Piper nigrum L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Polygonum minus	KNApSAcK Database	22123792
Quercus coccifera	KNApSAcK Database	22123792
Rhanterium epapposum	LOTUS Database	35616633
Rosmarinus officinalis	KNApSAcK Database	22123792
Rugelia nudicaulis	LOTUS Database	35616633
Salvia africana-lutea	LOTUS Database	35616633
Salvia rosmarinus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Senecio vulgaris	KNApSAcK Database	22123792
Sideritis montana	LOTUS Database	35616633
Solanum agrimoniifolium	LOTUS Database	35616633
Solanum habrochaites	KNApSAcK Database	22123792
Solidago canadensis	LOTUS Database	35616633
Swertia japonica	LOTUS Database	35616633
Syzygium aromaticum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Taiwania cryptomerioides	KNApSAcK Database	22123792
Thymus serpyllum	KNApSAcK Database	22123792
Vitex agnus-castus	LOTUS Database	35616633
Zanthoxylum simulans	LOTUS Database	35616633
Zingiber officinale	KNApSAcK Database	22123792

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Bisabolane sesquiterpenoid
Sesquiterpenoid
Branched unsaturated hydrocarbon
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

sesquiterpene (CHEBI:10115 )
cycloalkene (CHEBI:10115 )
Bisabolane sesquiterpenoids (C09750 )
Sesquiterpenoids (C15) (C09750 )
Bisabolane sesquiterpenoids (LMPR0103060002 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	167.00 to 168.00 °C. @ 50.00 mm Hg	The Good Scents Company Information System
Water Solubility	0.015 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	6.375 (est)	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
logP	5.77	ALOGPS
logP	4.87	ChemAxon
logS	-4.5	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	71.62 m³·mol⁻¹	ChemAxon
Polarizability	26.39 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00003204

Chemspider ID

83751

KEGG Compound ID

C09750

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Zingiberene

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

10115

Good Scents ID

rw1037961

References

General References

Utama-Ang N, Sida S, Wanachantararak P, Kawee-Ai A: Development of edible Thai rice film fortified with ginger extract using microwave-assisted extraction for oral antimicrobial properties. Sci Rep. 2021 Jul 21;11(1):14870. doi: 10.1038/s41598-021-94430-y. [PubMed:34290338 ]
Costa-Oliveira CD, Ramos YJ, Queiroz GA, Guimaraes EF, Vicosa AL, Moreira DL: Essential Oils from Piper lhotzkyanum Kunth Leaves from Brazilian Atlantic Forest: Chemical Composition and Stability in Different Storage Conditions. J Oleo Sci. 2021 Jul 1;70(7):995-1005. doi: 10.5650/jos.ess20332. Epub 2021 Jun 11. [PubMed:34121027 ]
Franco CJP, Ferreira OO, Antonio Barbosa de Moraes A, Varela ELP, Nascimento LDD, Percario S, de Oliveira MS, Andrade EHA: Chemical Composition and Antioxidant Activity of Essential Oils from Eugenia patrisii Vahl, E. punicifolia (Kunth) DC., and Myrcia tomentosa (Aubl.) DC., Leaf of Family Myrtaceae. Molecules. 2021 May 29;26(11). pii: molecules26113292. doi: 10.3390/molecules26113292. [PubMed:34072598 ]
Dai Z, Pomraning KR, Panisko EA, Hofstad BA, Campbell KB, Kim J, Robles AL, Deng S, Magnuson JK: Genetically Engineered Oleaginous Yeast Lipomyces starkeyi for Sesquiterpene alpha-Zingiberene Production. ACS Synth Biol. 2021 May 21;10(5):1000-1008. doi: 10.1021/acssynbio.0c00503. Epub 2021 Apr 29. [PubMed:33915043 ]
Ivanovic M, Makoter K, Islamcevic Razborsek M: Comparative Study of Chemical Composition and Antioxidant Activity of Essential Oils and Crude Extracts of Four Characteristic Zingiberaceae Herbs. Plants (Basel). 2021 Mar 8;10(3). pii: plants10030501. doi: 10.3390/plants10030501. [PubMed:33800364 ]
Sy, L. -K., et al. (1997). Sy, L. -K., et al, Magn. Reson. Chem. 35, 424 (1997). Mag. Reson. Chem..

Showing NP-Card for zingiberene (NP0030537)

MOL for NP0030537 (zingiberene)

3D MOL for NP0030537 (zingiberene)

3D SDF for NP0030537 (zingiberene)

3D-SDF for NP0030537 (zingiberene)

PDB for NP0030537 (zingiberene)

3D PDB for NP0030537 (zingiberene)

SMILES for NP0030537 (zingiberene)

INCHI for NP0030537 (zingiberene)

Structure for NP0030537 (zingiberene)

3D Structure for NP0030537 (zingiberene)