NP-MRD: Showing NP-Card for sesquiphellandrene (NP0030536)

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Record Information

Version

2.0

Created at

2021-06-19 21:52:07 UTC

Updated at

2021-08-20 00:00:18 UTC

NP-MRD ID

NP0030536

Secondary Accession Numbers

None

Natural Product Identification

Common Name

sesquiphellandrene

Provided By

JEOL Database JEOL Logo

Description

sesquiphellandrene is found in Acorus calamus, Eupatorium adenophorum , Ageratina conyzoides, Ageratum conyzoides, Alpinia chinensis, Alpinia conchigera, Alpinia densibracteata T. L., Alpinia galanga, Aster scaber, Baccharis linearifolia, Centella asiatica, Conyza bonariensis, Erigeron canadensis, Eupatorium capillifolium, Fitzroya cupressoides, Gundelia tournefortii, Helichrysum odoratissimum, Lantana camara, Marchantia chenopoda, Mosla cavaleriei, Origanum vulgare, Pelargonium endlicherianum, Platostoma africanum, Plicanthus hirtellus, Polygonum minus, Rosmarinus officinalis , Solanum tuberosum, Solidago canadensis, Thymus longicaulis, Trifolium repens L. , Tripleurospermum maritimum, Vitex agnus-castus and Zingiber cassumunar Roxb. . sesquiphellandrene was first documented in 1994 (PMID: 8064299). Based on a literature review a small amount of articles have been published on beta-Sesquiphellandrene (PMID: 21880075) (PMID: 34290338) (PMID: 34012873) (PMID: 33494170).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192123523D          

 39 39  0  0  0  0            999 V2000
   -4.3475    2.5452    1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2260    1.8981    0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7382    0.7682    1.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7275   -0.0032    1.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326    0.1765   -0.2798 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6520   -1.1911   -0.9226 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8706   -2.0865   -1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766   -1.0609   -2.2239 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4953   -0.2841   -2.1017 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4608   -0.9241   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0490   -0.3796   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8643    1.0332    0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864   -1.1978    0.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520    1.0871   -1.2196 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3995    2.3076   -0.4775 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9376    2.2481    1.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7080    3.3948    0.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070    0.5526    2.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3756   -0.8073    1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0992    0.7019   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366   -1.7352   -0.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5445   -3.0750   -1.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -2.2415   -0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5141   -1.6672   -1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041   -2.0693   -2.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326   -0.5886   -3.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2883    0.7603   -1.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9742   -0.2696   -3.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6967   -1.9610   -1.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914    1.0342    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8362    1.5314    0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486    1.6450   -0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9818   -0.7417    0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6134   -1.2529    1.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963   -2.2233    0.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931    0.5386   -1.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2264    1.4297   -2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5636    2.9322   -0.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9904    2.9150   -1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  3  2  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  8  1  0  0  0  0
  5 14  1  0  0  0  0
  8  9  1  0  0  0  0
 14 15  1  0  0  0  0
  9 10  1  0  0  0  0
 15  2  1  0  0  0  0
 10 11  2  3  0  0  0
 11 12  1  0  0  0  0
  2  1  2  3  0  0  0
 11 13  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  1  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 21  1  1  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
M  END

     RDKit          3D

 39 39  0  0  0  0  0  0  0  0999 V2000
   -4.3475    2.5452    1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2260    1.8981    0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7382    0.7682    1.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7275   -0.0032    1.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326    0.1765   -0.2798 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6520   -1.1911   -0.9226 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8706   -2.0865   -1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766   -1.0609   -2.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4953   -0.2841   -2.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.9241   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0490   -0.3796   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8643    1.0332    0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864   -1.1978    0.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520    1.0871   -1.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3995    2.3076   -0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9376    2.2481    1.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7080    3.3948    0.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070    0.5526    2.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3756   -0.8073    1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0992    0.7019   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366   -1.7352   -0.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5445   -3.0750   -1.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -2.2415   -0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5141   -1.6672   -1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041   -2.0693   -2.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326   -0.5886   -3.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2883    0.7603   -1.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9742   -0.2696   -3.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6967   -1.9610   -1.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914    1.0342    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8362    1.5314    0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486    1.6450   -0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9818   -0.7417    0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6134   -1.2529    1.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963   -2.2233    0.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931    0.5386   -1.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2264    1.4297   -2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5636    2.9322   -0.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9904    2.9150   -1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0
  5  6  1  0
  3  2  1  0
  6  7  1  0
  4  5  1  0
  6  8  1  0
  5 14  1  0
  8  9  1  0
 14 15  1  0
  9 10  1  0
 15  2  1  0
 10 11  2  3
 11 12  1  0
  2  1  2  3
 11 13  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  1
 14 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
  1 16  1  0
  1 17  1  0
  6 21  1  1
  7 22  1  0
  7 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  0
 12 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
M  END


  Mrv1652306192123523D          

 39 39  0  0  0  0            999 V2000
   -4.3475    2.5452    1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2260    1.8981    0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7382    0.7682    1.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7275   -0.0032    1.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326    0.1765   -0.2798 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6520   -1.1911   -0.9226 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8706   -2.0865   -1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766   -1.0609   -2.2239 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4953   -0.2841   -2.1017 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4608   -0.9241   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0490   -0.3796   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8643    1.0332    0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864   -1.1978    0.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520    1.0871   -1.2196 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3995    2.3076   -0.4775 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9376    2.2481    1.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7080    3.3948    0.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070    0.5526    2.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3756   -0.8073    1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0992    0.7019   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366   -1.7352   -0.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5445   -3.0750   -1.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -2.2415   -0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5141   -1.6672   -1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041   -2.0693   -2.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326   -0.5886   -3.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2883    0.7603   -1.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9742   -0.2696   -3.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6967   -1.9610   -1.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914    1.0342    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8362    1.5314    0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486    1.6450   -0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9818   -0.7417    0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6134   -1.2529    1.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963   -2.2233    0.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931    0.5386   -1.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2264    1.4297   -2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5636    2.9322   -0.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9904    2.9150   -1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  3  2  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  8  1  0  0  0  0
  5 14  1  0  0  0  0
  8  9  1  0  0  0  0
 14 15  1  0  0  0  0
  9 10  1  0  0  0  0
 15  2  1  0  0  0  0
 10 11  2  3  0  0  0
 11 12  1  0  0  0  0
  2  1  2  3  0  0  0
 11 13  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  1  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  6 21  1  1  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0030536

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C([H])=C1C([H])=C([H])[C@]([H])(C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([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,3,5,7,9,11H2,1-2,4H3/t14-,15+/m0/s1

> <INCHI_KEY>
PHWISBHSBNDZDX-LSDHHAIUSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.428236012124714

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3R)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohex-1-ene

> <ALOGPS_LOGP>
5.71

> <JCHEM_LOGP>
4.923184751333333

> <ALOGPS_LOGS>
-5.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
70.5495

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.03e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3R)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohex-1-ene

> <JCHEM_VEBER_RULE>
1

$$$$

     RDKit          3D

 39 39  0  0  0  0  0  0  0  0999 V2000
   -4.3475    2.5452    1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2260    1.8981    0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7382    0.7682    1.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7275   -0.0032    1.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326    0.1765   -0.2798 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6520   -1.1911   -0.9226 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8706   -2.0865   -1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766   -1.0609   -2.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4953   -0.2841   -2.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.9241   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0490   -0.3796   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8643    1.0332    0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864   -1.1978    0.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520    1.0871   -1.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3995    2.3076   -0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9376    2.2481    1.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7080    3.3948    0.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070    0.5526    2.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3756   -0.8073    1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0992    0.7019   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366   -1.7352   -0.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5445   -3.0750   -1.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -2.2415   -0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5141   -1.6672   -1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041   -2.0693   -2.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326   -0.5886   -3.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2883    0.7603   -1.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9742   -0.2696   -3.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6967   -1.9610   -1.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914    1.0342    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8362    1.5314    0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486    1.6450   -0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9818   -0.7417    0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6134   -1.2529    1.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963   -2.2233    0.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931    0.5386   -1.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2264    1.4297   -2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5636    2.9322   -0.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9904    2.9150   -1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0
  5  6  1  0
  3  2  1  0
  6  7  1  0
  4  5  1  0
  6  8  1  0
  5 14  1  0
  8  9  1  0
 14 15  1  0
  9 10  1  0
 15  2  1  0
 10 11  2  3
 11 12  1  0
  2  1  2  3
 11 13  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  1
 14 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
  1 16  1  0
  1 17  1  0
  6 21  1  1
  7 22  1  0
  7 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  0
 12 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  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      -4.348   2.545   1.067  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.226   1.898   0.718  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.738   0.768   1.482  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.728  -0.003   1.055  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.033   0.177  -0.280  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.652  -1.191  -0.923  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.871  -2.087  -1.204  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.177  -1.061  -2.224  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.495  -0.284  -2.102  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.461  -0.924  -1.142  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.049  -0.380  -0.059  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.864   1.033   0.422  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.986  -1.198   0.792  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.852   1.087  -1.220  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.400   2.308  -0.478  0.00  0.00           C+0
HETATM   16  H   UNK     0      -4.938   2.248   1.929  0.00  0.00           H+0
HETATM   17  H   UNK     0      -4.708   3.395   0.496  0.00  0.00           H+0
HETATM   18  H   UNK     0      -3.207   0.553   2.439  0.00  0.00           H+0
HETATM   19  H   UNK     0      -1.376  -0.807   1.698  0.00  0.00           H+0
HETATM   20  H   UNK     0      -0.099   0.702  -0.043  0.00  0.00           H+0
HETATM   21  H   UNK     0      -0.037  -1.735  -0.192  0.00  0.00           H+0
HETATM   22  H   UNK     0      -1.545  -3.075  -1.546  0.00  0.00           H+0
HETATM   23  H   UNK     0      -2.476  -2.241  -0.306  0.00  0.00           H+0
HETATM   24  H   UNK     0      -2.514  -1.667  -1.983  0.00  0.00           H+0
HETATM   25  H   UNK     0       0.404  -2.069  -2.596  0.00  0.00           H+0
HETATM   26  H   UNK     0      -0.433  -0.589  -3.005  0.00  0.00           H+0
HETATM   27  H   UNK     0       1.288   0.760  -1.860  0.00  0.00           H+0
HETATM   28  H   UNK     0       1.974  -0.270  -3.089  0.00  0.00           H+0
HETATM   29  H   UNK     0       2.697  -1.961  -1.385  0.00  0.00           H+0
HETATM   30  H   UNK     0       2.391   1.034   1.410  0.00  0.00           H+0
HETATM   31  H   UNK     0       3.836   1.531   0.505  0.00  0.00           H+0
HETATM   32  H   UNK     0       2.249   1.645  -0.240  0.00  0.00           H+0
HETATM   33  H   UNK     0       4.982  -0.742   0.806  0.00  0.00           H+0
HETATM   34  H   UNK     0       3.613  -1.253   1.820  0.00  0.00           H+0
HETATM   35  H   UNK     0       4.096  -2.223   0.424  0.00  0.00           H+0
HETATM   36  H   UNK     0      -2.693   0.539  -1.660  0.00  0.00           H+0
HETATM   37  H   UNK     0      -1.226   1.430  -2.052  0.00  0.00           H+0
HETATM   38  H   UNK     0      -1.564   2.932  -0.137  0.00  0.00           H+0
HETATM   39  H   UNK     0      -2.990   2.915  -1.174  0.00  0.00           H+0
CONECT    1    2   16   17                                                  
CONECT    2    3   15    1                                                  
CONECT    3    4    2   18                                                  
CONECT    4    3    5   19                                                  
CONECT    5    6    4   14   20                                             
CONECT    6    5    7    8   21                                             
CONECT    7    6   22   23   24                                             
CONECT    8    6    9   25   26                                             
CONECT    9    8   10   27   28                                             
CONECT   10    9   11   29                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11   30   31   32                                             
CONECT   13   11   33   34   35                                             
CONECT   14    5   15   36   37                                             
CONECT   15   14    2   38   39                                             
CONECT   16    1                                                            
CONECT   17    1                                                            
CONECT   18    3                                                            
CONECT   19    4                                                            
CONECT   20    5                                                            
CONECT   21    6                                                            
CONECT   22    7                                                            
CONECT   23    7                                                            
CONECT   24    7                                                            
CONECT   25    8                                                            
CONECT   26    8                                                            
CONECT   27    9                                                            
CONECT   28    9                                                            
CONECT   29   10                                                            
CONECT   30   12                                                            
CONECT   31   12                                                            
CONECT   32   12                                                            
CONECT   33   13                                                            
CONECT   34   13                                                            
CONECT   35   13                                                            
CONECT   36   14                                                            
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
   -4.3475    2.5452    1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2260    1.8981    0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7382    0.7682    1.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7275   -0.0032    1.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326    0.1765   -0.2798 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6520   -1.1911   -0.9226 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8706   -2.0865   -1.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766   -1.0609   -2.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4953   -0.2841   -2.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.9241   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0490   -0.3796   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8643    1.0332    0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9864   -1.1978    0.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520    1.0871   -1.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3995    2.3076   -0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9376    2.2481    1.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7080    3.3948    0.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070    0.5526    2.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3756   -0.8073    1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0992    0.7019   -0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366   -1.7352   -0.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5445   -3.0750   -1.5464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759   -2.2415   -0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5141   -1.6672   -1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041   -2.0693   -2.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326   -0.5886   -3.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2883    0.7603   -1.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9742   -0.2696   -3.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6967   -1.9610   -1.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914    1.0342    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8362    1.5314    0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2486    1.6450   -0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9818   -0.7417    0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6134   -1.2529    1.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963   -2.2233    0.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931    0.5386   -1.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2264    1.4297   -2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5636    2.9322   -0.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9904    2.9150   -1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0
  5  6  1  0
  3  2  1  0
  6  7  1  0
  4  5  1  0
  6  8  1  0
  5 14  1  0
  8  9  1  0
 14 15  1  0
  9 10  1  0
 15  2  1  0
 10 11  2  3
 11 12  1  0
  2  1  2  3
 11 13  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  1
 14 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
  1 16  1  0
  1 17  1  0
  6 21  1  1
  7 22  1  0
  7 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  0
 12 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
M  END

View in JSmol

Synonyms

Value	Source
(-)-(6R,7S)-Sesquiphellandrene	ChEBI
(-)-beta-Sesquiphellandrene	ChEBI
(R)-3-Methylene-6-[(S)-6-methylhept-5-en-2-yl]-cyclohex-1-ene	ChEBI
(-)-b-Sesquiphellandrene	Generator
(-)-Β-sesquiphellandrene	Generator
b-Sesquiphellandrene	Generator
Β-sesquiphellandrene	Generator

Chemical Formula

C₁₅H₂₄

Average Mass

204.3570 Da

Monoisotopic Mass

204.18780 Da

IUPAC Name

(3R)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohex-1-ene

Traditional Name

(3R)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohex-1-ene

CAS Registry Number

Not Available

SMILES

[H]C([H])=C1C([H])=C([H])[C@]([H])(C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([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,3,5,7,9,11H2,1-2,4H3/t14-,15+/m0/s1

InChI Key

PHWISBHSBNDZDX-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
Acorus calamus	LOTUS Database	35616633
Acorus calanus L.	KNApSAcK Database	22123792
Ageratina adenophora	Plant	KNApSAcK
Ageratina conyzoides	Plant	KNApSAcK
Ageratum conyzoides	LOTUS Database	35616633
Alpinia chinensis	LOTUS Database	35616633
Alpinia conchigera	LOTUS Database	35616633
Alpinia densibracteata T. L.	JEOL database	Sy, L. -K., et al, Magn. Reson. Chem. 35, 424 (1997)
Alpinia galanga	LOTUS Database	35616633
Arabidopsis thaliana	KNApSAcK Database	22123792
Aster scaber	LOTUS Database	35616633
Baccharis linearifolia	LOTUS Database	35616633
Calypogeia suecica	KNApSAcK Database	22123792
Centella asiatica	LOTUS Database	35616633
Chamaecyparis formosensis	KNApSAcK Database	22123792
Cistus albidus	KNApSAcK Database	22123792
Citrus paradisi	KNApSAcK Database	22123792
Citrus reticulata	KNApSAcK Database	22123792
Clausena lansium	KNApSAcK Database	22123792
Conyza bonariensis	LOTUS Database	35616633
Curcuma aeruginosa	KNApSAcK Database	22123792
Curcuma domestica	KNApSAcK Database	22123792
Curcuma longa	KNApSAcK Database	22123792
Curcuma phaeocaulis	KNApSAcK Database	22123792
Curcuma wenyujin	KNApSAcK Database	22123792
Erigeron canadensis	LOTUS Database	35616633
Eupatorium capillifolium	LOTUS Database	35616633
Fitzroya cupressoides	LOTUS Database	35616633
Gundelia tournefortii	LOTUS Database	35616633
Helichrysum odoratissimum	LOTUS Database	35616633
Lantana camara	LOTUS Database	35616633
Litsea cubeba	KNApSAcK Database	22123792
Marchantia chenopoda	LOTUS Database	35616633
Mosla cavaleriei	LOTUS Database	35616633
Murraya paniculata	KNApSAcK Database	22123792
Ocimum basilicum	KNApSAcK Database	22123792
Origanum vulgare	LOTUS Database	35616633
Pelargonium endlicherianum	LOTUS Database	35616633
Persicaria minor	KNApSAcK Database	22123792
Pinus halepensis	KNApSAcK Database	22123792
Platostoma africanum	LOTUS Database	35616633
Plicanthus hirtellus	LOTUS Database	35616633
Polygonum minus	Plant	KNApSAcK
Poncirus trifoliate x Citrus sinensis	KNApSAcK Database	22123792
Rosmarinus officinalis	KNApSAcK Database	22123792
Salvia rosmarinus	Plant	KNApSAcK
Solanum tuberosum	LOTUS Database	35616633
Solidago canadensis	LOTUS Database	35616633
Tanacetum macrophyllum	KNApSAcK Database	22123792
Thymus longicaulis	LOTUS Database	35616633
Trifolium repens	Plant	KNApSAcK
Trifolium repens L.	KNApSAcK Database	22123792
Tripleurospermum maritimum	LOTUS Database	35616633
Vitex agnus-castus	LOTUS Database	35616633
Zingiber cassumunar Roxb.	KNApSAcK Database	22123792
Zingiber montanum	Plant	KNApSAcK
Zingiber officinale	KNApSAcK Database	22123792

Chemical Taxonomy

Description

This compound 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
Cycloalkene
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

alicyclic compound (CHEBI:64361 )
sesquiterpene (CHEBI:64361 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	270.00 to 272.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Water Solubility	0.013 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	6.522 (est)	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
logP	5.71	ALOGPS
logP	4.92	ChemAxon
logS	-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	70.55 m³·mol⁻¹	ChemAxon
Polarizability	26.43 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

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

64361

Good Scents ID

rw1103651

References

General References

Zhuang X, Kollner TG, Zhao N, Li G, Jiang Y, Zhu L, Ma J, Degenhardt J, Chen F: Dynamic evolution of herbivore-induced sesquiterpene biosynthesis in sorghum and related grass crops. Plant J. 2012 Jan;69(1):70-80. doi: 10.1111/j.1365-313X.2011.04771.x. Epub 2011 Oct 13. [PubMed:21880075 ]
Denyer CV, Jackson P, Loakes DM, Ellis MR, Young DA: Isolation of antirhinoviral sesquiterpenes from ginger (Zingiber officinale). J Nat Prod. 1994 May;57(5):658-62. doi: 10.1021/np50107a017. [PubMed:8064299 ]
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 ]
Raafat K: Identification of phytochemicals from North African plants for treating Alzheimer's diseases and of their molecular targets by in silico network pharmacology approach. J Tradit Complement Med. 2020 Aug 12;11(3):268-278. doi: 10.1016/j.jtcme.2020.08.002. eCollection 2021 May. [PubMed:34012873 ]
Setzer WN, Duong L, Poudel A, Mentreddy SR: Variation in the Chemical Composition of Five Varieties of Curcuma longa Rhizome Essential Oils Cultivated in North Alabama. Foods. 2021 Jan 21;10(2). pii: foods10020212. doi: 10.3390/foods10020212. [PubMed:33494170 ]
Sy, L. -K., et al. (1997). Sy, L. -K., et al, Magn. Reson. Chem. 35, 424 (1997). Mag. Reson. Chem..

Showing NP-Card for sesquiphellandrene (NP0030536)

MOL for NP0030536 (sesquiphellandrene)

3D MOL for NP0030536 (sesquiphellandrene)

3D SDF for NP0030536 (sesquiphellandrene)

3D-SDF for NP0030536 (sesquiphellandrene)

PDB for NP0030536 (sesquiphellandrene)

3D PDB for NP0030536 (sesquiphellandrene)

SMILES for NP0030536 (sesquiphellandrene)

INCHI for NP0030536 (sesquiphellandrene)

Structure for NP0030536 (sesquiphellandrene)

3D Structure for NP0030536 (sesquiphellandrene)