NP-MRD: Showing NP-Card for 1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one (NP0253194)

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Record Information

Version

2.0

Created at

2022-09-07 16:59:37 UTC

Updated at

2022-09-07 16:59:37 UTC

NP-MRD ID

NP0253194

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one

Description

1-(2,4A,8-trihydroxy-1,2,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-3-hydroxy-1-propanone belongs to the class of organic compounds known as beta-hydroxy ketones. These are ketones containing a hydroxyl group attached to the beta-carbon atom, relative to the C=O group. 1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one is found in Aspergillus sulphureus. Based on a literature review very few articles have been published on 1-(2,4a,8-trihydroxy-1,2,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-3-hydroxy-1-propanone.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 48  0  0  0  0  0  0  0  0999 V2000
   -4.3696    0.9509   -0.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467    0.6743   -0.1576 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0697    1.7076   -0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120    1.5513   -0.0405 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7372    2.4023    1.0966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4381    0.1544    0.3910 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1144   -0.9379   -0.3425 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5321   -1.2885   -1.5660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9928   -2.1734    0.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0115   -2.2892    1.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0398   -1.2783    1.6191 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3898   -1.8766    1.8413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6117   -0.6092    2.8025 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0102   -0.2032    0.5435 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6736    0.9960    1.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7102   -0.6314   -0.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600   -1.7982   -0.6493 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9574    0.1074   -1.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1352    1.0642   -1.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260    0.4579   -1.5053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5749   -0.6686   -0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0538    0.1461   -0.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6899    1.9633   -0.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1056    0.9467   -1.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1554    0.6806    0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5196    2.7117   -0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    1.6728   -1.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0156    2.0104   -0.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768    3.3526    0.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8857    0.0989    1.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879   -2.2339   -1.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7439   -2.9832    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0037   -3.2490    1.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2262   -1.3144    1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271   -2.9293    1.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -1.8790    2.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1947   -1.2333    3.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2391    1.0956    2.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5057    1.9399    0.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7521    0.7499    1.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2372   -0.5944   -2.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412    0.6986   -2.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2666    1.4408   -2.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9051    1.9867   -1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6482    0.7880   -0.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8007   -0.7132   -1.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2177   -1.4650   -0.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  6
  7 21  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  1
 11 14  1  0
 14 15  1  0
 14 16  1  6
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 21  2  1  0
 14  6  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  1
  3 26  1  0
  3 27  1  0
  4 28  1  6
  5 29  1  0
  6 30  1  1
  8 31  1  0
 21 46  1  0
 21 47  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  0
 15 38  1  0
 15 39  1  0
 15 40  1  0
 18 41  1  0
 18 42  1  0
 19 43  1  0
 19 44  1  0
 20 45  1  0
M  END


  Mrv1652309072218592D          

 21 22  0  0  0  0            999 V2000
   -1.4289    0.0000    0.0000 C   0  0  0  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
   -0.7145   -1.2375    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
    0.0000   -2.4750    0.0000 O   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   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 O   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  0  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
    2.9559   -1.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256   -2.0127    0.0000 O   0  0  0  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
    1.0416   -2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8163   -2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6408   -2.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3791   -3.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5546   -3.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1174   -3.7489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 21  1  0  0  0  0
  2 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0253194

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC(O)C2C(O)(C1)C=CC(C)(O)C2(C)C(=O)CCO

> <INCHI_IDENTIFIER>
InChI=1S/C16H26O5/c1-10-8-11(18)13-15(3,12(19)4-7-17)14(2,20)5-6-16(13,21)9-10/h5-6,10-11,13,17-18,20-21H,4,7-9H2,1-3H3

> <INCHI_KEY>
XLPZAZKGKJAESI-UHFFFAOYSA-N

> <FORMULA>
C16H26O5

> <MOLECULAR_WEIGHT>
298.379

> <EXACT_MASS>
298.178023937

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
32.343631582044196

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-(2,4a,8-trihydroxy-1,2,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-3-hydroxypropan-1-one

> <JCHEM_LOGP>
-0.10072669566666625

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.134794865287311

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.583546527567961

> <JCHEM_PKA_STRONGEST_BASIC>
-2.441163245185068

> <JCHEM_POLAR_SURFACE_AREA>
97.99

> <JCHEM_REFRACTIVITY>
79.48329999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl)-3-hydroxypropan-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -0.770   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       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.334   0.770   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.518  -2.043   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.528  -3.757   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.944  -4.440   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.390  -4.440   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.929  -4.493   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.574  -5.746   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.035  -5.692   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       0.219  -6.998   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   14                                                  
CONECT    7    6    8    9   21                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11    6   15   16                                             
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21    7    2                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₆O₅

Average Mass

298.3790 Da

Monoisotopic Mass

298.17802 Da

IUPAC Name

1-(2,4a,8-trihydroxy-1,2,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-3-hydroxypropan-1-one

Traditional Name

1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl)-3-hydroxypropan-1-one

CAS Registry Number

Not Available

SMILES

CC1CC(O)C2C(O)(C1)C=CC(C)(O)C2(C)C(=O)CCO

InChI Identifier

InChI=1S/C16H26O5/c1-10-8-11(18)13-15(3,12(19)4-7-17)14(2,20)5-6-16(13,21)9-10/h5-6,10-11,13,17-18,20-21H,4,7-9H2,1-3H3

InChI Key

XLPZAZKGKJAESI-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
Aspergillus sulphureus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta-hydroxy ketones. These are ketones containing a hydroxyl group attached to the beta-carbon atom, relative to the C=O group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Beta-hydroxy ketones

Alternative Parents

Substituents

Beta-hydroxy ketone
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Polyol
Organic oxide
Hydrocarbon derivative
Primary alcohol
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	-0.1	ChemAxon
pKa (Strongest Acidic)	13.58	ChemAxon
pKa (Strongest Basic)	-2.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	97.99 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	79.48 m³·mol⁻¹	ChemAxon
Polarizability	32.34 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

78099848

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one (NP0253194)

MOL for NP0253194 (1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one)

3D MOL for NP0253194 (1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one)

3D SDF for NP0253194 (1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one)

3D-SDF for NP0253194 (1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one)

PDB for NP0253194 (1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one)

3D PDB for NP0253194 (1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one)

SMILES for NP0253194 (1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one)

INCHI for NP0253194 (1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one)

Structure for NP0253194 (1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one)

3D Structure for NP0253194 (1-(2,4a,8-trihydroxy-1,2,6-trimethyl-6,7,8,8a-tetrahydro-5h-naphthalen-1-yl)-3-hydroxypropan-1-one)