NP-MRD: Showing NP-Card for 2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol (NP0310163)

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Record Information

Version

2.0

Created at

2022-09-11 05:16:50 UTC

Updated at

2022-09-11 05:16:50 UTC

NP-MRD ID

NP0310163

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol

Description

8Alpha-13(16),14-Labdadien-8-ol, also known as isoabienol, belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. 2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol is found in Blepharostoma trichophyllum, Cunninghamia lanceolata, Helichrysum nudifolium, Pinus nigra, Pinus sylvestris, Sagittaria trifolia and Smallanthus fruticosus. 8Alpha-13(16),14-Labdadien-8-ol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 55 56  0  0  0  0  0  0  0  0999 V2000
    4.7336    0.3923    1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9706    0.5520   -0.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1571    0.0327   -1.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5366    0.2584   -2.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105   -0.7626   -1.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8168    0.1458   -0.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894   -0.5011   -0.4326 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5396    0.5258    0.0781 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1901    1.2189    1.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7469    1.5146   -1.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1213    1.9354   -1.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2356    1.0989   -0.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0101    0.6305    0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1591   -0.2550    1.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0565    1.8169    1.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7496   -0.1375    0.6222 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9511   -1.3657   -0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9707   -2.3776    0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4328   -1.8180    0.2039 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0270   -1.9953    1.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1249   -2.7196   -0.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8952   -0.1526    1.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    0.8288    1.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8705    1.1345   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9700   -0.1155   -3.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4344    0.8304   -2.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5539   -1.1681   -2.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0825   -1.6043   -0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6975    0.9243   -1.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1796    0.7219    0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1344   -0.6767   -1.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985    2.0689    0.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    0.5404    1.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5354    1.5772    1.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0938    2.4230   -0.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3054    1.1356   -1.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066    2.0728   -2.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2771    2.9754   -0.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1951    1.6569   -0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3992    0.1944   -1.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8726   -1.0697    1.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6659   -0.6923    0.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9569    0.3230    1.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8568    1.5580    2.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4881    2.6920    1.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1352    2.1625    1.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5844   -0.5081    1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373   -1.1118   -1.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9693   -1.7778   -0.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1018   -3.3247   -0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2858   -2.5930    1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3510   -1.7194    2.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1727   -3.1119    1.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0059   -1.5615    1.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878   -2.8228   -1.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0
 13 15  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  8  1  0
  8  9  1  1
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  2  3
  3  2  1  0
  2  1  2  3
  7 19  1  0
 19 20  1  0
 19 21  1  6
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 13  1  0
 16  8  1  0
 14 41  1  0
 14 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
 15 46  1  0
 12 39  1  0
 12 40  1  0
 11 37  1  0
 11 38  1  0
 10 35  1  0
 10 36  1  0
  9 32  1  0
  9 33  1  0
  9 34  1  0
  7 31  1  6
  6 29  1  0
  6 30  1  0
  5 27  1  0
  5 28  1  0
  4 25  1  0
  4 26  1  0
  2 24  1  0
  1 22  1  0
  1 23  1  0
 20 52  1  0
 20 53  1  0
 20 54  1  0
 21 55  1  0
 18 50  1  0
 18 51  1  0
 17 48  1  0
 17 49  1  0
 16 47  1  1
M  END


  Mrv0541 05061308202D          

 21 22  0  0  0  0            999 V2000
    2.1434    1.2375    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
    8.6716    1.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1413    2.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9033    2.3317    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
    7.1447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.8875    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
    7.1447    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4336    3.2502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
 10  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  2  2  0  0  0  0
 15  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18  3  1  0  0  0  0
 18  4  1  0  0  0  0
 18 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19  5  1  0  0  0  0
 19 13  1  0  0  0  0
 19 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20  6  1  0  0  0  0
 20 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0310163

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)CCCC2(C)C(CCC(=C)C=C)C(C)(O)CCC12

> <INCHI_IDENTIFIER>
InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3

> <INCHI_KEY>
JTWQQJDENGGSBJ-UHFFFAOYSA-N

> <FORMULA>
C20H34O

> <MOLECULAR_WEIGHT>
290.4834

> <EXACT_MASS>
290.26096571

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
36.217882528116945

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-decahydronaphthalen-2-ol

> <ALOGPS_LOGP>
5.17

> <JCHEM_LOGP>
5.226465872999999

> <ALOGPS_LOGS>
-6.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.435451689207058

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
91.1553

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.20e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1H-naphthalen-2-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668   0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.187   2.043   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.197   3.757   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.153   4.353   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.337   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002   3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.671   0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.003   0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.003   5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.337   3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.669   3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.671   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      10.143   6.067   0.000  0.00  0.00           O+0
CONECT    1    7                                                            
CONECT    2   15                                                            
CONECT    3   18                                                            
CONECT    4   18                                                            
CONECT    5   19                                                            
CONECT    6   20                                                            
CONECT    7    1   15                                                       
CONECT    8   12   13                                                       
CONECT    9   10   15                                                       
CONECT   10    9   17                                                       
CONECT   11   14   16                                                       
CONECT   12    8   18                                                       
CONECT   13    8   19                                                       
CONECT   14   11   20                                                       
CONECT   15    2    7    9                                                  
CONECT   16   11   18   19                                                  
CONECT   17   10   19   20                                                  
CONECT   18    3    4   12   16                                             
CONECT   19    5   13   16   17                                             
CONECT   20    6   14   17   21                                             
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Value	Source
8a-13(16),14-Labdadien-8-ol	Generator
8Α-13(16),14-labdadien-8-ol	Generator
Isoabienol	HMDB

Chemical Formula

C₂₀H₃₄O

Average Mass

290.4834 Da

Monoisotopic Mass

290.26097 Da

IUPAC Name

2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-decahydronaphthalen-2-ol

Traditional Name

2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1H-naphthalen-2-ol

CAS Registry Number

Not Available

SMILES

CC1(C)CCCC2(C)C(CCC(=C)C=C)C(C)(O)CCC12

InChI Identifier

InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3

InChI Key

JTWQQJDENGGSBJ-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
Blepharostoma trichophyllum	LOTUS Database	35616633
Cunninghamia lanceolata	LOTUS Database	35616633
Helichrysum nudifolium	LOTUS Database	35616633
Pinus nigra	LOTUS Database	35616633
Pinus sylvestris	LOTUS Database	35616633
Sagittaria trifolia	LOTUS Database	35616633
Smallanthus fruticosus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Labdane diterpenoid
Tertiary alcohol
Cyclic alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
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	5.17	ALOGPS
logP	5.23	ChemAxon
logS	-6.1	ALOGPS
pKa (Strongest Basic)	-0.44	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	4	ChemAxon
Refractivity	91.16 m³·mol⁻¹	ChemAxon
Polarizability	36.22 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

HMDB0035276

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB013938

KNApSAcK ID

C00022765

Chemspider ID

4341272

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5168698

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol (NP0310163)

MOL for NP0310163 (2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol)

3D MOL for NP0310163 (2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol)

3D SDF for NP0310163 (2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol)

3D-SDF for NP0310163 (2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol)

PDB for NP0310163 (2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol)

3D PDB for NP0310163 (2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol)

SMILES for NP0310163 (2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol)

INCHI for NP0310163 (2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol)

Structure for NP0310163 (2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol)

3D Structure for NP0310163 (2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-en-1-yl)-hexahydro-1h-naphthalen-2-ol)