NP-MRD: Showing NP-Card for (2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane (NP0200193)

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Record Information

Version

2.0

Created at

2022-09-04 18:59:02 UTC

Updated at

2022-09-04 18:59:02 UTC

NP-MRD ID

NP0200193

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane

Description

LONGIFOLENE belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane is found in Abies pinsapo, Abies sibirica, Achyrospermum africanum, Aglaia odoratissima, Aloysia citrodora, Aristolochia elegans, Artemisia sericea, Artemisia xerophytica, Arum maculatum, Asarum asperum, Azadirachta indica, Bellardia trixago, Cannabis sativa, Chamaecyparis obtusa, Chamaecyparis pisifera, Cistus incanus, Citrus aurantium, Cryptomeria japonica, Cynara cardunculus, Dacrydium cupressinum, Gnephosis arachnoidea, Halocarpus bidwillii, Halocarpus biformis, Inula helenium, Larix gmelinii, Larix gmelinii, Larix kaempferi, Larix lyallii, Larix sibirica, Lepechinia chamaedryoides, Leplaea cedrata, Metacalypogeia alternifolia, Myrrhis odorata, Nigella sativa, Ocimum gratissimum, Picea koraiensis, Picea orientalis, Pinus brutia, Pinus caribaea, Pinus densiflora, Pinus heldreichii, Pinus massoniana, Pinus ponderosa, Pinus pumila, Pinus sylvestris, Psiadia altissima, Rhododendron mucronulatum, Scapania undulata, Sideritis tragoriganum, Solanum agrimoniifolium, Theobroma simiarum, Trifolium pratense, Zanthoxylum kauaense, Zanthoxylum zanthoxyloides and Zea mays. (2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane was first documented in 2022 (PMID: 36054006). Based on a literature review a small amount of articles have been published on LONGIFOLENE (PMID: 36047715) (PMID: 35601293) (PMID: 35440325) (PMID: 35165424).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.2417   -0.2786    2.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9513    0.1505    1.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309    1.3651    0.7740 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2541    2.2644    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4571    1.6025   -1.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6502    0.3256   -1.1901 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5455    0.9098   -0.4514 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6827    0.0483   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8115    0.4888   -1.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2592    0.2980    1.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5205   -1.4119   -0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5442   -2.0883    0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273   -1.9683   -0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3080   -0.5321   -0.1353 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8156   -0.5909   -0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863   -1.2037    2.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9556    0.2619    3.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3408    1.8637    1.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1851    2.3394    0.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7546    3.2493   -0.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9252    2.2348   -2.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101    1.4342   -1.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4174   -0.1625   -2.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8071    1.8571   -1.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8239    1.5949   -1.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5853    0.0849   -2.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7607    0.1178   -0.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755   -0.1499    1.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6238   -0.0864    1.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3561    1.3938    1.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621   -1.6660   -1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241   -1.8959   -0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5498   -1.7596    1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7844   -3.1760    0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056   -2.2487   -1.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -2.6549    0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1737   -1.3913    0.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3217    0.3274   -0.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0191   -0.9472   -1.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  6
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11  8  1  0
  8  9  1  0
  8 10  1  0
  8  7  1  0
  7  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  3  2  1  0
  2  1  2  3
  6 14  1  0
  2 14  1  0
  6  7  1  0
 15 37  1  0
 15 38  1  0
 15 39  1  0
 13 35  1  0
 13 36  1  0
 12 33  1  0
 12 34  1  0
 11 31  1  0
 11 32  1  0
  9 25  1  0
  9 26  1  0
  9 27  1  0
 10 28  1  0
 10 29  1  0
 10 30  1  0
  7 24  1  6
  3 18  1  1
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  6
  1 16  1  0
  1 17  1  0
M  END


  Mrv1652309042220592D          

 15 17  0  0  1  0            999 V2000
    1.5303   -1.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1251   -0.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3855   -0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2158    0.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    1.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9338    0.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2668   -0.0126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9951   -0.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849   -1.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014   -1.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1772    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4461    0.6406    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7646    1.1056    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 14  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0200193

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@]12CCCC(C)(C)[C@H]3C(CCC13)C2=C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11?,12?,13-,15+/m0/s1

> <INCHI_KEY>
PDSNLYSELAIEBU-NSOJWWLLSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.430873781616405

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,7S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0^{2,9}]undecane

> <JCHEM_LOGP>
4.159091856666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
64.6219

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S,7S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0^{2,9}]undecane

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       2.857  -2.141   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.100  -0.799   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.720  -0.443   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.403   0.602   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.291   1.962   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.743   1.640   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.365  -0.024   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.724  -0.983   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.519  -2.509   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.669  -2.199   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.111  -0.202   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.351   1.338   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.064   2.266   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.699   1.196   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.427   2.064   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   14                                                  
CONECT    3    2    4    7                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   14                                                  
CONECT    7    6    3    8                                                  
CONECT    8    7    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    2    6   15                                             
CONECT   15   14                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   34    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₄

Average Mass

204.3570 Da

Monoisotopic Mass

204.18780 Da

IUPAC Name

(2S,7S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0^{2,9}]undecane

Traditional Name

(2S,7S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0^{2,9}]undecane

CAS Registry Number

Not Available

SMILES

C[C@]12CCCC(C)(C)[C@H]3C(CCC13)C2=C

InChI Identifier

InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11?,12?,13-,15+/m0/s1

InChI Key

PDSNLYSELAIEBU-NSOJWWLLSA-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 pinsapo	LOTUS Database	35616633
Abies sibirica	LOTUS Database	35616633
Achyrospermum africanum	LOTUS Database	35616633
Aglaia odoratissima	LOTUS Database	35616633
Aloysia citrodora	LOTUS Database	35616633
Aristolochia elegans	LOTUS Database	35616633
Artemisia sericea	LOTUS Database	35616633
Artemisia xerophytica	LOTUS Database	35616633
Arum maculatum	LOTUS Database	35616633
Asarum asperum	LOTUS Database	35616633
Azadirachta indica	LOTUS Database	35616633
Bartsia trixago	LOTUS Database	35616633
Cannabis sativa	LOTUS Database	35616633
Chamaecyparis obtusa	LOTUS Database	35616633
Chamaecyparis pisifera	LOTUS Database	35616633
Cistus incanus	LOTUS Database	35616633
Citrus aurantium	LOTUS Database	35616633
Cryptomeria japonica	LOTUS Database	35616633
Cynara cardunculus	LOTUS Database	35616633
Dacrydium cupressinum	LOTUS Database	35616633
Gnephosis arachnoidea	LOTUS Database	35616633
Halocarpus bidwillii	LOTUS Database	35616633
Halocarpus biformis	LOTUS Database	35616633
Inula helenium	LOTUS Database	35616633
Larix gmelini	LOTUS Database	35616633
Larix gmelinii var. olgensis	LOTUS Database	35616633
Larix kaempferi	LOTUS Database	35616633
Larix lyallii	LOTUS Database	35616633
Larix sibirica	LOTUS Database	35616633
Lepechinia chamaedryoides	LOTUS Database	35616633
Leplaea cedrata	LOTUS Database	35616633
Metacalypogeia alternifolia	LOTUS Database	35616633
Myrrhis odorata	LOTUS Database	35616633
Nigella sativa	LOTUS Database	35616633
Ocimum gratissimum	LOTUS Database	35616633
Picea koraiensis	LOTUS Database	35616633
Picea orientalis	LOTUS Database	35616633
Pinus brutia	LOTUS Database	35616633
Pinus caribaea	LOTUS Database	35616633
Pinus densiflora	LOTUS Database	35616633
Pinus heldreichii	LOTUS Database	35616633
Pinus massoniana	LOTUS Database	35616633
Pinus ponderosa	LOTUS Database	35616633
Pinus pumila	LOTUS Database	35616633
Pinus sylvestris	LOTUS Database	35616633
Psiadia altissima	LOTUS Database	35616633
Rhododendron mucronulatum	LOTUS Database	35616633
Scapania undulata	LOTUS Database	35616633
Sideritis tragoriganum	LOTUS Database	35616633
Solanum agrimoniifolium	LOTUS Database	35616633
Theobroma simiarum	LOTUS Database	35616633
Trifolium pratense	LOTUS Database	35616633
Zanthoxylum kauaense	LOTUS Database	35616633
Zanthoxylum zanthoxyloides	LOTUS Database	35616633
Zea mays	LOTUS Database	35616633

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

Longifolane or isolongifolane sesquiterpenoid
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	4.16	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	64.62 m³·mol⁻¹	ChemAxon
Polarizability	25.43 Å³	ChemAxon
Number of Rings	3	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

C00003162

Chemspider ID

17461746

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16396350

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Qu FF, Li XH, Wang PQ, Han YH, Wu Y, Hu JH, Zhang XF: Effect of thermal process on the key aroma components of green tea with chestnut-like aroma. J Sci Food Agric. 2022 Aug 14. doi: 10.1002/jsfa.12177. [PubMed:36054006 ]
Xia F, Du J, Wang K, Liu L, Ba L, Liu H, Liu Y: Application of Multiple Strategies To Debottleneck the Biosynthesis of Longifolene by Engineered Saccharomyces cerevisiae. J Agric Food Chem. 2022 Sep 14;70(36):11336-11343. doi: 10.1021/acs.jafc.2c04405. Epub 2022 Sep 1. [PubMed:36047715 ]
Li Y, Chen X, Wang L, Wei X, Nong M, Nong W, Liang J: Measurement and Prediction of Isothermal Vapor-Liquid Equilibrium and Thermodynamic Properties of a Turpentine + Rosin System Using the COSMO-RS Model. ACS Omega. 2022 May 4;7(19):16270-16277. doi: 10.1021/acsomega.1c05167. eCollection 2022 May 17. [PubMed:35601293 ]
Sukmawan YP, Anggadiredja K, Adnyana IK: Anti-neuropathic pain mechanistic study of A. conyzoides essential oil, Precocene II, Caryophyllene, or Longifolene as single agent and in combination with pregabalin. CNS Neurol Disord Drug Targets. 2022 Apr 18. pii: CNSNDDT-EPUB-122657. doi: 10.2174/1871527321666220418121329. [PubMed:35440325 ]
Lusi RF, Sennari G, Sarpong R: Total synthesis of nine longiborneol sesquiterpenoids using a functionalized camphor strategy. Nat Chem. 2022 Apr;14(4):450-456. doi: 10.1038/s41557-021-00870-4. Epub 2022 Feb 14. [PubMed:35165424 ]
LOTUS database [Link]

Showing NP-Card for (2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane (NP0200193)

MOL for NP0200193 ((2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane)

3D MOL for NP0200193 ((2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane)

3D SDF for NP0200193 ((2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane)

3D-SDF for NP0200193 ((2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane)

PDB for NP0200193 ((2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane)

3D PDB for NP0200193 ((2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane)

SMILES for NP0200193 ((2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane)

INCHI for NP0200193 ((2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane)

Structure for NP0200193 ((2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane)

3D Structure for NP0200193 ((2s,7s)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0²,⁹]undecane)