NP-MRD: Showing NP-Card for 1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol (NP0304367)

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Record Information

Version

2.0

Created at

2022-09-10 19:24:32 UTC

Updated at

2022-09-10 19:24:32 UTC

NP-MRD ID

NP0304367

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol

Description

Epicubenol belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Epicubenol is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Epicubenol has been detected, but not quantified in, herbs and spices. 1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol is found in Bazzania japonica, Chamaecyparis obtusa, Clinopodium chilense, Cryptomeria japonica, Daucus carota, Dictyopteris delicatula, Dictyopteris divaricata, Entandrophragma cylindricum, Eugenia dysenterica, Fitzroya cupressoides, Lippia americana, Ocotea longifolia, Picea koraiensis, Piper auritum, Psidium salutare, Scapania undulata, Solidago canadensis, Streptomyces griseus and Toona ciliata. 1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol was first documented in 2000 (PMID: 10673090). This could make epicubenol a potential biomarker for the consumption of these foods (PMID: 16202980) (PMID: 12943786) (PMID: 18649320).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
   -2.9680   -2.7901   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2377   -1.4686   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0231   -1.4225   -0.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3052   -0.1629   -0.8711 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1749   -0.2248   -0.9538 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8647   -0.7955    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3719   -0.9477   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4196   -2.2045    0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7737    1.1280   -1.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7274    2.1964   -1.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1320    2.1765   -0.1077 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5953    2.7645    1.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7611    0.8513    0.1751 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4693    0.3645    1.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2439    0.9968    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9856   -0.2998    0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7179   -2.8481   -0.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3738   -2.9499    0.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2518   -3.6417   -0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5839   -2.3462   -1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6504    0.3131   -1.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4838   -0.9052   -1.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7698   -0.1540    1.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4356   -1.4225   -1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7668   -1.6084    0.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9025    0.0069    0.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0975   -2.6248    1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4251   -2.2022    1.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567   -2.8977   -0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3653    1.1032   -2.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4803    1.4417   -0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795    3.1957   -1.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1443    2.0848   -2.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9475    2.9309   -0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230    2.8458    1.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5139    2.2184    1.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8429    3.8349    0.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919    0.9638    2.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5666    1.6592    0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5133    1.5412   -0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3302   -0.4733    1.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9154   -0.2275   -0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0
  6  8  1  0
  6  5  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  1  0
 16  2  1  0
  2  1  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4 13  1  0
  7 24  1  0
  7 25  1  0
  7 26  1  0
  6 23  1  0
  8 27  1  0
  8 28  1  0
  8 29  1  0
  5 22  1  6
  9 30  1  0
  9 31  1  0
 10 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 12 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  4 21  1  6
M  END


  Mrv0541 02241214362D          

 16 17  0  0  0  0            999 V2000
    1.0724    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    1.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0304367

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1CCC(C)C2(O)CCC(C)=CC12

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3

> <INCHI_KEY>
COGPRPSWSKLKTF-UHFFFAOYSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.3663

> <EXACT_MASS>
222.198365454

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
27.82814103329142

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol

> <ALOGPS_LOGP>
3.76

> <JCHEM_LOGP>
3.6946274139999993

> <ALOGPS_LOGS>
-3.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.20672885428184162

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
69.2765

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.38e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       2.002   3.465   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.002   1.925   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.334   1.155   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.334  -0.385   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.002  -1.155   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.334  -1.155   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.999  -0.385   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.999   1.155   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.667   1.925   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.667  -1.155   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.667  -0.385   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.667   1.155   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.667   2.695   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.334  -3.465   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.002  -2.695   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.667  -3.465   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   12                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4   11   15                                                  
CONECT    6    7                                                            
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8   12                                                       
CONECT   10    7   11                                                       
CONECT   11    5   10   12                                                  
CONECT   12    2    9   11   13                                             
CONECT   13   12                                                            
CONECT   14   15                                                            
CONECT   15    5   14   16                                                  
CONECT   16   15                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   34    0
END

View in JSmol

Synonyms

Value	Source
Epi-cubenol	HMDB
Cubenol	MeSH
Epicubenol	MeSH

Chemical Formula

C₁₅H₂₆O

Average Mass

222.3663 Da

Monoisotopic Mass

222.19837 Da

IUPAC Name

4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol

Traditional Name

1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol

CAS Registry Number

Not Available

SMILES

CC(C)C1CCC(C)C2(O)CCC(C)=CC12

InChI Identifier

InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3

InChI Key

COGPRPSWSKLKTF-UHFFFAOYSA-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
Bazzania japonica	LOTUS Database	35616633
Chamaecyparis obtusa	LOTUS Database	35616633
Clinopodium chilense	LOTUS Database	35616633
Cryptomeria japonica	LOTUS Database	35616633
Daucus carota	LOTUS Database	35616633
Dictyopteris delicatula	LOTUS Database	35616633
Dictyopteris divaricata	LOTUS Database	35616633
Entandrophragma cylindricum	LOTUS Database	35616633
Eugenia dysenterica	LOTUS Database	35616633
Fitzroya cupressoides	LOTUS Database	35616633
Lippia americana	LOTUS Database	35616633
Ocotea longifolia	LOTUS Database	35616633
Picea koraiensis	LOTUS Database	35616633
Piper auritum	LOTUS Database	35616633
Psidium salutare	LOTUS Database	35616633
Scapania undulata	LOTUS Database	35616633
Solidago canadensis	LOTUS Database	35616633
Streptomyces griseus	LOTUS Database	35616633
Toona ciliata	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
Tertiary alcohol
Cyclic alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

a sesquiterpenoid (CPD-12879 )

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	3.76	ALOGPS
logP	3.69	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Basic)	-0.21	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	69.28 m³·mol⁻¹	ChemAxon
Polarizability	27.83 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

HMDB0037031

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB016012

KNApSAcK ID

C00033734

Chemspider ID

453462

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

519857

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Cane DE, Ke N: Epicubenol synthase. Origin of the oxygen atom of a bacterial sesquiterpene alcohol. Bioorg Med Chem Lett. 2000 Jan 17;10(2):105-7. doi: 10.1016/s0960-894x(99)00650-2. [PubMed:10673090 ]
Takei M, Umeyama A, Arihara S: Epicubenol and Ferruginol induce DC from human monocytes and differentiate IL-10-producing regulatory T cells in vitro. Biochem Biophys Res Commun. 2005 Nov 18;337(2):730-8. doi: 10.1016/j.bbrc.2005.09.110. Epub 2005 Sep 26. [PubMed:16202980 ]
Catalan CA, de Heluani CS, Kotowicz C, Gedris TE, Herz W: A linear sesterterpene, two squalene derivatives and two peptide derivatives from Croton hieronymi. Phytochemistry. 2003 Sep;64(2):625-9. doi: 10.1016/s0031-9422(03)00202-4. [PubMed:12943786 ]
Cole RA, Haber WA, Lawton RO, Setzer WN: Leaf essential oil composition of three species of Myrcianthes from Monteverde, Costa Rica. Chem Biodivers. 2008 Jul;5(7):1327-34. doi: 10.1002/cbdv.200890120. [PubMed:18649320 ]
LOTUS database [Link]

Showing NP-Card for 1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol (NP0304367)

MOL for NP0304367 (1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol)

3D MOL for NP0304367 (1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol)

3D SDF for NP0304367 (1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol)

3D-SDF for NP0304367 (1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol)

PDB for NP0304367 (1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol)

3D PDB for NP0304367 (1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol)

SMILES for NP0304367 (1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol)

INCHI for NP0304367 (1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol)

Structure for NP0304367 (1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol)

3D Structure for NP0304367 (1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-4a-ol)