NP-MRD: Showing NP-Card for selinene (NP0233637)

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Record Information

Version

2.0

Created at

2022-09-06 15:18:45 UTC

Updated at

2022-09-06 15:18:45 UTC

NP-MRD ID

NP0233637

Secondary Accession Numbers

None

Natural Product Identification

Common Name

selinene

Description

(2R,4aS,8aR)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. selinene is found in Abies firma, Abies sachalinensis, Achyrospermum africanum, Austrobaileya scandens, Bellis perennis, Bouchardatia neurococca, Callitris columellaris, Cannabis sativa, Cassinia uncata, Cedrela odorata, Cistus creticus, Citrus reticulata, Commiphora gurreh, Commiphora sphaerocarpa, Copaifera duckei, Copaifera langsdorffii, Corallocarpus epigaeus, Cymbopogon martinii, Cyperus alopecuroides, Cyperus rotundus, Dacrydium cupressinum, Dendropanax trifidus, Diplophyllum albicans, Dumortiera hirsuta, Eucalyptus globulus, Eucalyptus incrassata, Eucalyptus nova-anglica, Eucalyptus sparsa, Fitchia speciosa, Glehnia littoralis, Gossypium hirsutum, Hexalobus crispiflorus, Humulus lupulus, Hyalosperma glutinosum, Hypericum dyeri, Hypericum rumeliacum, Keteleeria davidiana, Laggera alata, Lantana strigocamara, Larix gmelinii, Leptospermum scoparium, Linzia glabra, Lophocolea bidentata, Marrubium parviflorum, Ocimum americanum, Osbornia octodonta, Pelargonium quercifolium, Perezia recurvata, Peucedanum zenkeri, Picea glehnii, Picea koraiensis, Pimenta racemosa, Piper aduncum, Piper fimbriulatum, Piper gaudichaudianum, Polygala senega, Psiadia altissima, Psidium guajava, Psorospermum febrifugum, Rhododendron mucronulatum, Salvia dorisiana, Saussurea costus, Senecio nebrodensis, Smyrnium rotundifolium, Tagetes lucida, Tritomaria quinquedentata and Umbellularia californica. Based on a literature review very few articles have been published on (2R,4aS,8aR)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 40  0  0  0  0  0  0  0  0999 V2000
    3.1791   -0.5706   -2.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7181   -0.5225   -1.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7149   -0.4021   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047   -0.5711   -0.7783 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3382   -0.7553   -1.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0404   -0.2631   -1.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3661   -0.4664   -0.1118 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3507   -1.9731    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7765   -0.0187    0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9527    0.1319    1.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448    1.3405    2.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140    1.3654    1.5501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0353    2.5508    1.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3905    0.2493    0.7537 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8728    0.6846   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2399   -0.5247   -2.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173   -0.6599   -3.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124   -1.1735    0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7321   -0.6758   -0.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    0.5900    0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1130   -1.4184   -0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3482   -1.8330   -2.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6383   -0.1926   -2.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7575   -0.8573   -2.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1340    0.7802   -1.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8446   -2.2739    1.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3977   -2.3956    0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8913   -2.5223   -0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5117   -0.7208   -0.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9387    0.9993   -0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0008    0.2140    1.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5124   -0.7113    2.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5925    2.1145    2.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1779    3.0613    0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5978    3.2814    2.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8599    2.2688    2.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0078   -0.5245    1.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6920    1.5318   -0.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6419    0.8626    0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0
  2  1  2  3
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15  4  1  0
 14  7  1  0
  3 18  1  0
  3 19  1  0
  3 20  1  0
  1 16  1  0
  1 17  1  0
  4 21  1  1
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  8 26  1  0
  8 27  1  0
  8 28  1  0
  9 29  1  0
  9 30  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  0
 13 34  1  0
 13 35  1  0
 13 36  1  0
 14 37  1  1
 15 38  1  0
 15 39  1  0
M  END


  Mrv1652309062217182D          

 15 16  0  0  1  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  6  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 15  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0233637

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=C)[C@@H]1CC[C@]2(C)CCC=C(C)[C@@H]2C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14+,15+/m1/s1

> <INCHI_KEY>
OZQAPQSEYFAMCY-ILXRZTDVSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.026975329985852

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,4aS,8aR)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene

> <JCHEM_LOGP>
4.519309391666669

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
67.4524

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(4aS,7R,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-4,5,6,7,8,8a-hexahydro-3H-naphthalene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   15                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   14                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    7   15                                                  
CONECT   15   14    4                                                       
MASTER        0    0    0    0    0    0    0    0   15    0   32    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₄

Average Mass

204.3570 Da

Monoisotopic Mass

204.18780 Da

IUPAC Name

(2R,4aS,8aR)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene

Traditional Name

(4aS,7R,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-4,5,6,7,8,8a-hexahydro-3H-naphthalene

CAS Registry Number

Not Available

SMILES

CC(=C)[C@@H]1CC[C@]2(C)CCC=C(C)[C@@H]2C1

InChI Identifier

InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14+,15+/m1/s1

InChI Key

OZQAPQSEYFAMCY-ILXRZTDVSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abies firma	LOTUS Database	35616633
Abies sachalinensis	LOTUS Database	35616633
Achyrospermum africanum	LOTUS Database	35616633
Austrobaileya scandens	LOTUS Database	35616633
Bellis perennis	LOTUS Database	35616633
Bouchardatia neurococca	LOTUS Database	35616633
Callitris columellaris	LOTUS Database	35616633
Cannabis sativa	LOTUS Database	35616633
Cassinia uncata	LOTUS Database	35616633
Cedrela odorata	LOTUS Database	35616633
Cistus creticus	LOTUS Database	35616633
Citrus reticulata	LOTUS Database	35616633
Commiphora gurreh	LOTUS Database	35616633
Commiphora sphaerocarpa	LOTUS Database	35616633
Copaifera duckei	LOTUS Database	35616633
Copaifera langsdorffii	LOTUS Database	35616633
Corallocarpus epigaeus	LOTUS Database	35616633
Cymbopogon martinii	LOTUS Database	35616633
Cyperus alopecuroides	LOTUS Database	35616633
Cyperus rotundus	LOTUS Database	35616633
Dacrydium cupressinum	LOTUS Database	35616633
Dendropanax trifidus	LOTUS Database	35616633
Diplophyllum albicans	LOTUS Database	35616633
Dumortiera hirsuta	LOTUS Database	35616633
Eucalyptus globulus	LOTUS Database	35616633
Eucalyptus incrassata	LOTUS Database	35616633
Eucalyptus nova-anglica	LOTUS Database	35616633
Eucalyptus sparsa	LOTUS Database	35616633
Fitchia speciosa	LOTUS Database	35616633
Glehnia littoralis	LOTUS Database	35616633
Gossypium hirsutum	LOTUS Database	35616633
Hexalobus crispiflorus	LOTUS Database	35616633
Humulus lupulus	LOTUS Database	35616633
Hyalosperma glutinosum	LOTUS Database	35616633
Hypericum dyeri	LOTUS Database	35616633
Hypericum rumeliacum	LOTUS Database	35616633
Keteleeria davidiana	LOTUS Database	35616633
Laggera alata	LOTUS Database	35616633
Lantana strigocamara	LOTUS Database	35616633
Larix gmelini	LOTUS Database	35616633
Leptospermum scoparium	LOTUS Database	35616633
Linzia glabra	LOTUS Database	35616633
Lophocolea bidentata	LOTUS Database	35616633
Marrubium parviflorum	LOTUS Database	35616633
Ocimum americanum	LOTUS Database	35616633
Osbornia octodonta	LOTUS Database	35616633
Pelargonium quercifolium	LOTUS Database	35616633
Perezia recurvata	LOTUS Database	35616633
Peucedanum zenkeri	LOTUS Database	35616633
Picea glehnii	LOTUS Database	35616633
Picea koraiensis	LOTUS Database	35616633
Pimenta racemosa	LOTUS Database	35616633
Piper aduncum	LOTUS Database	35616633
Piper fimbriulatum	LOTUS Database	35616633
Piper gaudichaudianum	LOTUS Database	35616633
Polygala senega	LOTUS Database	35616633
Psiadia altissima	LOTUS Database	35616633
Psidium guajava	LOTUS Database	35616633
Psorospermum febrifugum	LOTUS Database	35616633
Rhododendron mucronulatum	LOTUS Database	35616633
Salvia dorisiana	LOTUS Database	35616633
Saussurea costus	LOTUS Database	35616633
Senecio nebrodensis	LOTUS Database	35616633
Smyrnium rotundifolium	LOTUS Database	35616633
Tagetes lucida	LOTUS Database	35616633
Trilophozia quinquedentata	LOTUS Database	35616633
Umbellularia californica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids

Alternative Parents

Substituents

Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid
Branched unsaturated hydrocarbon
Polycyclic hydrocarbon
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.52	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	67.45 m³·mol⁻¹	ChemAxon
Polarizability	26.03 Å³	ChemAxon
Number of Rings	2	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

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12309811

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for selinene (NP0233637)

MOL for NP0233637 (selinene)

3D MOL for NP0233637 (selinene)

3D SDF for NP0233637 (selinene)

3D-SDF for NP0233637 (selinene)

PDB for NP0233637 (selinene)

3D PDB for NP0233637 (selinene)

SMILES for NP0233637 (selinene)

INCHI for NP0233637 (selinene)

Structure for NP0233637 (selinene)

3D Structure for NP0233637 (selinene)