NP-MRD: Showing NP-Card for 2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid (NP0258090)

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Record Information

Version

2.0

Created at

2022-09-07 23:23:55 UTC

Updated at

2022-09-07 23:23:55 UTC

NP-MRD ID

NP0258090

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid

Description

Isocostic acid, also known as isocostate, belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. 2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid is found in Dittrichia graveolens and Laggera alata. 2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid was first documented in 2010 (PMID: 21522737). Based on a literature review a small amount of articles have been published on Isocostic acid (PMID: 34352920) (PMID: 21754752) (PMID: 30874370) (PMID: 21754232).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 40  0  0  0  0  0  0  0  0999 V2000
    3.6723   -0.1980   -1.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9882   -0.2286   -0.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7332   -0.1168    0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9843    0.0043    0.5739 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1523   -0.1342    1.8554 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5202   -0.3712   -0.5724 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8732   -0.4966   -1.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5227   -1.0814   -1.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3218   -0.1503   -0.7773 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8786    0.9254   -1.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4925   -0.9500   -0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2219   -0.1465    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465    0.1213    1.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9732    0.5328    1.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0726    1.1159    2.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5606    0.3834    0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580    0.8283    0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1566   -0.2789   -2.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7484   -0.0922   -1.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006    0.5757    2.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2786   -1.2731    0.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3851   -1.2092   -2.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6937    0.4975   -2.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3395   -2.0092   -1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0868   -1.2401   -2.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6072    1.5852   -1.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4435    0.3968   -2.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0742    1.4949   -2.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2280   -1.2050   -1.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0766   -1.8569    0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0732   -0.7695    1.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6475    0.7745    0.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7444    0.9225    2.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387   -0.7952    2.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3237    2.0946    2.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7008    1.2675    3.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234    0.4320    2.9614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3824    1.2051    0.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7767    1.6709   -0.6639 H   0  0  0  0  0  0  0  0  0  0  0  0
 15 14  1  0
 14 16  2  0
 16 17  1  0
 17  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  0
 12 13  1  0
  6  2  1  0
  2  1  2  3
  2  3  1  0
  3  5  1  0
  3  4  2  0
 13 14  1  0
  9 16  1  0
 15 35  1  0
 15 36  1  0
 15 37  1  0
 17 38  1  0
 17 39  1  0
  6 21  1  1
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
 10 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
  1 18  1  0
  1 19  1  0
  5 20  1  0
M  END


  Mrv1652309082201232D          

 17 18  0  0  1  0            999 V2000
   -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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    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
    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  1  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
    3.5724   -1.2375    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
    2.8579   -2.4750    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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  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
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0258090

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C2CC(CC[C@@]2(C)CCC1)C(=C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12H,2,4-9H2,1,3H3,(H,16,17)/t12?,15-/m1/s1

> <INCHI_KEY>
SGZOYHLQNUSAIL-WPZCJLIBSA-N

> <FORMULA>
C15H22O2

> <MOLECULAR_WEIGHT>
234.339

> <EXACT_MASS>
234.161979948

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
27.13076011759378

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]prop-2-enoic acid

> <JCHEM_LOGP>
3.6673441660000003

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.050585746284782

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
68.90299999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-[(4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000  -3.080   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  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       1.334  -5.390   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  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -0.770   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       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2    7   17                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11   16                                             
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    9   17                                                  
CONECT   17   16    6                                                       
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END

View in JSmol

Synonyms

Value	Source
Isocostate	Generator
2-((2R,4AR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydro-2-naphthalenyl)acrylic acid	MeSH

Chemical Formula

C₁₅H₂₂O₂

Average Mass

234.3390 Da

Monoisotopic Mass

234.16198 Da

IUPAC Name

2-[(4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]prop-2-enoic acid

Traditional Name

2-[(4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

CAS Registry Number

Not Available

SMILES

CC1=C2CC(CC[C@@]2(C)CCC1)C(=C)C(O)=O

InChI Identifier

InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12H,2,4-9H2,1,3H3,(H,16,17)/t12?,15-/m1/s1

InChI Key

SGZOYHLQNUSAIL-WPZCJLIBSA-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
Dittrichia graveolens	LOTUS Database	35616633
Laggera alata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids

Alternative Parents

Substituents

Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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	3.67	ChemAxon
pKa (Strongest Acidic)	5.05	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	68.9 m³·mol⁻¹	ChemAxon
Polarizability	27.13 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00012726

Chemspider ID

95532292

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

129316949

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Erdenetsogt U, Nadmid S, Paetz C, Dahse HM, Voigt K, Gotov C, Boland W, Dagvadorj E: New Guaianolide Sesquiterpene Lactones and Other Constituents from Pyrethrum pulchrum. Planta Med. 2022 Apr;88(5):380-388. doi: 10.1055/a-1554-2866. Epub 2021 Aug 5. [PubMed:34352920 ]
Tebbaa M, Benharref A, Berraho M, Avignant D, Oudahmane A, Akssira M: 3-(4-Chloro-phen-yl)-1-[(2R,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octa-hydro-naphthalen-2-yl]prop-2-en-1-one. Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1358. doi: 10.1107/S1600536811016886. Epub 2011 May 7. [PubMed:21754752 ]
Aissa I, Nimbarte VD, Zardi-Bergaoui A, Znati M, Flamini G, Ascrizzi R, Jannet HB: Isocostic Acid, a Promising Bioactive Agent from the Essential Oil of Inula viscosa (L.): Insights from Drug Likeness Properties, Molecular Docking and SAR Analysis. Chem Biodivers. 2019 Apr;16(4):e1800648. doi: 10.1002/cbdv.201800648. Epub 2019 Mar 15. [PubMed:30874370 ]
Tebbaa M, Benharref A, Berraho M, Daran JC, Akssira M, Elhakmaoui A: 1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octa-hydro-naphthalen-2-yl)-3-phenyl-prop-2-en-1-one. Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o969. doi: 10.1107/S1600536811010452. Epub 2011 Mar 26. [PubMed:21754232 ]
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LOTUS database [Link]

Showing NP-Card for 2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid (NP0258090)

MOL for NP0258090 (2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid)

3D MOL for NP0258090 (2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid)

3D SDF for NP0258090 (2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid)

3D-SDF for NP0258090 (2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid)

PDB for NP0258090 (2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid)

3D PDB for NP0258090 (2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid)

SMILES for NP0258090 (2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid)

INCHI for NP0258090 (2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid)

Structure for NP0258090 (2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid)

3D Structure for NP0258090 (2-[(4ar)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid)