NP-MRD: Showing NP-Card for (1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene (NP0149705)

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Record Information

Version

2.0

Created at

2022-09-02 05:38:02 UTC

Updated at

2022-09-02 05:38:02 UTC

NP-MRD ID

NP0149705

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

Description

Calamenene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene is found in Acca sellowiana, Acorus gramineus, Baccharis genistelloides, Bazzania trilobata, Cecropia pachystachya, Chamaecyparis obtusa, Cryptomeria japonica, Herbertus dicranus, Larix gmelinii, Mentha rotundifolia, Piper aduncum, Plexaurella nutans, Rhododendron groenlandicum, Sideritis tragoriganum and Trichocoleopsis sacculata. (1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene was first documented in 2003 (PMID: 12620322). Calamenene is possibly neutral (PMID: 23325101) (PMID: 17365697) (PMID: 16631732) (PMID: 19054533) (PMID: 19826671) (PMID: 21246444).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 38  0  0  0  0  0  0  0  0999 V2000
   -2.1398    3.1227    1.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8322    1.8890    0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575    0.9978    0.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5802   -0.1376    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2935   -0.3931   -0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2554    0.4861   -0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5507    1.6270    0.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1229    0.2702   -0.6819 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1200   -0.0478    0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678    0.9643    1.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888   -0.1736   -0.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1428   -0.8964   -1.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311   -2.0564   -1.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1157   -1.6601   -1.1947 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0310   -2.7474   -0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9876    2.9708    2.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    3.5149    1.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593    3.8781    1.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8782    1.1925    1.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050   -0.8289   -0.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1927    2.3890    0.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4975    1.1487   -1.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410   -1.0335    0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1797    0.6566    2.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5263    1.9784    1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480    0.9693    2.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522    0.2707   -1.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2705    0.3791    0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7703   -1.2365   -0.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695   -1.2647   -1.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475   -0.5868   -2.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5771   -2.2257   -0.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5361   -2.9644   -1.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3430   -1.4077   -2.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5751   -3.7566   -0.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9322   -2.7522   -1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3993   -2.5358    0.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0
 14 13  1  0
 13 12  1  0
 12  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  8  6  1  0
  6  5  2  0
  5  4  1  0
  4  3  2  0
  3  2  1  0
  2  1  1  0
  2  7  2  0
  5 14  1  0
  7  6  1  0
 14 34  1  6
 15 35  1  0
 15 36  1  0
 15 37  1  0
 13 32  1  0
 13 33  1  0
 12 30  1  0
 12 31  1  0
  8 22  1  6
  9 23  1  0
 10 24  1  0
 10 25  1  0
 10 26  1  0
 11 27  1  0
 11 28  1  0
 11 29  1  0
  4 20  1  0
  3 19  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  7 21  1  0
M  END


  Mrv0541 10081412322D          

 17 18  0  0  1  0            999 V2000
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    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
    0.7145    1.2375    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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
 10  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 11  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12  4  1  1  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  1  1  0  0  0
 14  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  2  0  0  0  0
 12 16  1  6  0  0  0
 13 17  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0149705

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(C)CC[C@]([H])(C(C)C)C2=C1C=CC(C)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m1/s1

> <INCHI_KEY>
PGTJIOWQJWHTJJ-CHWSQXEVSA-N

> <FORMULA>
C15H22

> <MOLECULAR_WEIGHT>
202.3352

> <EXACT_MASS>
202.172150704

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
25.694776211980468

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,4R)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

> <ALOGPS_LOGP>
5.60

> <JCHEM_LOGP>
5.244547365333334

> <ALOGPS_LOGS>
-6.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
66.82820000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.57e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4R)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 08-OCT-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-OCT-14         0                                  
HETATM    1  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335   1.540   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       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   16  H   UNK     0       4.001   0.770   0.000  0.00  0.00           H+0
HETATM   17  H   UNK     0       6.668   5.390   0.000  0.00  0.00           H+0
CONECT    1   10                                                            
CONECT    2   10                                                            
CONECT    3   11                                                            
CONECT    4   12                                                            
CONECT    5    7   11                                                       
CONECT    6    8   12                                                       
CONECT    7    5   14                                                       
CONECT    8    6   13                                                       
CONECT    9   11   15                                                       
CONECT   10    1    2   13                                                  
CONECT   11    3    5    9                                                  
CONECT   12    4    6   14   16                                             
CONECT   13    8   10   15   17                                             
CONECT   14    7   12   15                                                  
CONECT   15    9   13   14                                                  
CONECT   16   12                                                            
CONECT   17   13                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END

View in JSmol

Synonyms

Value	Source
(7R,10R)-Calamenene	MeSH

Chemical Formula

C₁₅H₂₂

Average Mass

202.3352 Da

Monoisotopic Mass

202.17215 Da

IUPAC Name

(1R,4R)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

Traditional Name

(1R,4R)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

CAS Registry Number

Not Available

SMILES

[H][C@@]1(C)CC[C@]([H])(C(C)C)C2=C1C=CC(C)=C2

InChI Identifier

InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m1/s1

InChI Key

PGTJIOWQJWHTJJ-CHWSQXEVSA-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
Acca sellowiana	LOTUS Database	35616633
Acorus gramineus	LOTUS Database	35616633
Baccharis genistelloides	LOTUS Database	35616633
Bazzania trilobata	LOTUS Database	35616633
Cecropia pachystachya	LOTUS Database	35616633
Chamaecyparis obtusa	LOTUS Database	35616633
Cryptomeria japonica	LOTUS Database	35616633
Herbertus dicranus	LOTUS Database	35616633
Larix gmelini	LOTUS Database	35616633
Mentha rotundifolia	LOTUS Database	35616633
Piper aduncum	LOTUS Database	35616633
Plexaurella nutans	LOTUS Database	35616633
Rhododendron groenlandicum	LOTUS Database	35616633
Sideritis tragoriganum	LOTUS Database	35616633
Trichocoleopsis sacculata	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

Sesquiterpenoid
Cadinane sesquiterpenoid
Tetralin
Benzenoid
Aromatic hydrocarbon
Polycyclic hydrocarbon
Unsaturated hydrocarbon
Hydrocarbon
Aromatic homopolycyclic compound

Molecular Framework

Aromatic 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	5.6	ALOGPS
logP	5.24	ChemAxon
logS	-6.1	ALOGPS
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	66.83 m³·mol⁻¹	ChemAxon
Polarizability	25.69 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0061837

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

11298625

PDB ID

Not Available

ChEBI ID

88614

Good Scents ID

Not Available

References

General References

Azevedo MM, Chaves FC, Almeida CA, Bizzo HR, Duarte RS, Campos-Takaki GM, Alviano CS, Alviano DS: Antioxidant and antimicrobial activities of 7-hydroxy-calamenene-rich essential oils from Croton cajucara Benth. Molecules. 2013 Jan 16;18(1):1128-37. doi: 10.3390/molecules18011128. [PubMed:23325101 ]
Salmoun M, Braekman JC, Ranarivelo Y, Rasamoelisendra R, Ralambomanana D, Dewelle J, Darro F, Kiss R: New calamenene sesquiterpenes from Tarenna madagascariensis. Nat Prod Res. 2007 Feb;21(2):111-20. doi: 10.1080/14786410600899084. [PubMed:17365697 ]
Melcher E, Jungel P, Mollendorf B, Schmitt U: Identification of a hydroxy substituted calamenene--a sesquiterpene associated with wound reactions in non-infected xylem of Tilia spp. Phytochemistry. 2003 Mar;62(5):707-13. doi: 10.1016/s0031-9422(02)00362-x. [PubMed:12620322 ]
Takei M, Umeyama A, Arihara S: T-cadinol and calamenene induce dendritic cells from human monocytes and drive Th1 polarization. Eur J Pharmacol. 2006 May 10;537(1-3):190-9. doi: 10.1016/j.ejphar.2006.02.047. Epub 2006 Mar 3. [PubMed:16631732 ]
Morimoto M, Cantrell CL, Libous-Bailey L, Duke SO: Phytotoxicity of constituents of glandular trichomes and the leaf surface of camphorweed, Heterotheca subaxillaris. Phytochemistry. 2009 Jan;70(1):69-74. doi: 10.1016/j.phytochem.2008.09.026. Epub 2008 Dec 4. [PubMed:19054533 ]
Schrems MG, Pfaltz A: NeoPHOX--an easily accessible P,N-ligand for iridium-catalyzed asymmetric hydrogenation: preparation, scope and application in the synthesis of demethyl methoxycalamenene. Chem Commun (Camb). 2009 Nov 7;(41):6210-2. doi: 10.1039/b912680e. Epub 2009 Aug 27. [PubMed:19826671 ]
Limna Mol VP, Raveendran TV, Naik BG, Kunnath RJ, Parameswaran PS: Calamenenes--aromatic bicyclic sesquiterpenes--from the Indian gorgonian Subergorgia reticulata (Ellis and Solander, 1786). Nat Prod Res. 2011 Jan;25(2):169-74. doi: 10.1080/14786419.2010.495069. [PubMed:21246444 ]
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LOTUS database [Link]

Showing NP-Card for (1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene (NP0149705)

MOL for NP0149705 ((1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene)

3D MOL for NP0149705 ((1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene)

3D SDF for NP0149705 ((1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene)

3D-SDF for NP0149705 ((1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene)

PDB for NP0149705 ((1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene)

3D PDB for NP0149705 ((1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene)

SMILES for NP0149705 ((1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene)

INCHI for NP0149705 ((1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene)

Structure for NP0149705 ((1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene)

3D Structure for NP0149705 ((1r,4r)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene)