NP-MRD: Showing NP-Card for 2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid (NP0284616)

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Record Information

Version

2.0

Created at

2022-09-09 12:24:10 UTC

Updated at

2022-09-09 12:24:10 UTC

NP-MRD ID

NP0284616

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid

Description

2-(3,6-Dihydroxy-8,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)-3-hydroxypropanoic acid belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Based on a literature review very few articles have been published on 2-(3,6-dihydroxy-8,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)-3-hydroxypropanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 45  0  0  0  0  0  0  0  0999 V2000
   -1.8944    1.4779    1.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1412    0.6648    0.6421 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9289   -0.5898    0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5303   -1.0655   -0.3543 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2519   -0.0148   -0.9091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4288   -1.4773   -1.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0974   -0.9326   -0.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0441   -1.6043   -1.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3383   -1.2030   -1.0213 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1320   -2.3517   -1.0224 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5063   -0.4254    0.2450 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5194    0.6760    0.0010 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8137   -0.0126   -0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8002    0.9264   -0.6480 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091    1.4001    1.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5808    2.6182    1.3665 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3266    0.7379    2.3667 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523    0.1001    0.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8845    0.2784   -0.0935 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5412    1.4654   -1.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8397    1.4778    2.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1136    1.0840    2.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780    2.5401    1.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    1.2666   -0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2079   -1.3234    1.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7604   -0.3756    1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2039   -1.9257   -0.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2368   -0.1275   -1.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -2.5841   -1.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6517   -1.1079   -2.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1668   -2.5237   -1.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6935   -0.6072   -1.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6362   -3.1410   -1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9819   -1.1067    0.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130    1.3938   -0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401   -0.7013    0.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6835   -0.6058   -1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4297    1.8378   -0.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9617   -0.0453    2.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0987   -0.5169    1.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4912    1.1158    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    2.1951   -0.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4964    1.9425   -1.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0858    1.1704   -1.8502 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  2  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 18  1  0
 18 19  1  0
 19 20  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 17  1  0
 15 16  2  0
 19  2  1  0
 19  7  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  6
  3 25  1  0
  3 26  1  0
  4 27  1  1
  5 28  1  0
  6 29  1  0
  6 30  1  0
  8 31  1  0
  9 32  1  6
 10 33  1  0
 11 34  1  1
 18 40  1  0
 18 41  1  0
 20 42  1  0
 20 43  1  0
 20 44  1  0
 12 35  1  6
 13 36  1  0
 13 37  1  0
 14 38  1  0
 17 39  1  0
M  END


  Mrv1652309092214242D          

 20 21  0  0  0  0            999 V2000
    1.4289   -2.4750    0.0000 C   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
    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
    0.0000    0.0000    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
    2.8579    0.0000    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
    4.2868   -0.0000    0.0000 O   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
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 O   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
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   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
    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
  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 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
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 19  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0284616

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CC(O)CC2=CC(O)C(CC12C)C(CO)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H24O5/c1-8-3-10(17)4-9-5-13(18)11(6-15(8,9)2)12(7-16)14(19)20/h5,8,10-13,16-18H,3-4,6-7H2,1-2H3,(H,19,20)

> <INCHI_KEY>
DPKPTGARWFZSLN-UHFFFAOYSA-N

> <FORMULA>
C15H24O5

> <MOLECULAR_WEIGHT>
284.352

> <EXACT_MASS>
284.162373873

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
30.400890412500264

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3,6-dihydroxy-8,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)-3-hydroxypropanoic acid

> <JCHEM_LOGP>
-0.017666401000001025

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.514913870799806

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.464411061814074

> <JCHEM_PKA_STRONGEST_BASIC>
-1.257886430219374

> <JCHEM_POLAR_SURFACE_AREA>
97.99

> <JCHEM_REFRACTIVITY>
74.2489

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl)-3-hydroxypropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  -3.080   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       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.336  -5.390   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -3.850   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   19                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   18                                                  
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   11   19                                                       
CONECT   19   18    7    2   20                                             
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

View in JSmol

Synonyms

Value	Source
2-(3,6-Dihydroxy-8,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)-3-hydroxypropanoate	Generator

Chemical Formula

C₁₅H₂₄O₅

Average Mass

284.3520 Da

Monoisotopic Mass

284.16237 Da

IUPAC Name

2-(3,6-dihydroxy-8,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)-3-hydroxypropanoic acid

Traditional Name

2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl)-3-hydroxypropanoic acid

CAS Registry Number

Not Available

SMILES

CC1CC(O)CC2=CC(O)C(CC12C)C(CO)C(O)=O

InChI Identifier

InChI=1S/C15H24O5/c1-8-3-10(17)4-9-5-13(18)11(6-15(8,9)2)12(7-16)14(19)20/h5,8,10-13,16-18H,3-4,6-7H2,1-2H3,(H,19,20)

InChI Key

DPKPTGARWFZSLN-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids

Alternative Parents

Substituents

Eremophilane sesquiterpenoid
Beta-hydroxy acid
Hydroxy acid
Cyclic alcohol
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Organic oxygen compound
Organooxygen compound
Primary 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	-0.018	ChemAxon
pKa (Strongest Acidic)	4.46	ChemAxon
pKa (Strongest Basic)	-1.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	97.99 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	74.25 m³·mol⁻¹	ChemAxon
Polarizability	30.4 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

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

75152009

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid (NP0284616)

MOL for NP0284616 (2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid)

3D MOL for NP0284616 (2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid)

3D SDF for NP0284616 (2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid)

3D-SDF for NP0284616 (2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid)

PDB for NP0284616 (2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid)

3D PDB for NP0284616 (2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid)

SMILES for NP0284616 (2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid)

INCHI for NP0284616 (2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid)

Structure for NP0284616 (2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid)

3D Structure for NP0284616 (2-(3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl)-3-hydroxypropanoic acid)