NP-MRD: Showing NP-Card for (2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one (NP0218341)

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Record Information

Version

2.0

Created at

2022-09-05 18:58:20 UTC

Updated at

2022-09-05 18:58:21 UTC

NP-MRD ID

NP0218341

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one

Description

CHEMBL443169 belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Based on a literature review very few articles have been published on CHEMBL443169.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052220582D          

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M  END

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M  END


  Mrv1652309052220582D          

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   -3.4653   -4.9110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0281   -5.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5909   -6.3103    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3558   -6.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4194   -7.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7664   -6.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3791   -5.5531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5546   -5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8163   -4.8534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6874   -4.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    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
    0.0000   -1.6500    0.0000 N   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
   -1.4289   -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   -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
   -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
    0.7145   -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  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
    2.1434   -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  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  1  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  1  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 20 18  1  1  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  1  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 27 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 37 42  1  0  0  0  0
 42 43  2  0  0  0  0
 34 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0218341

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)[C@H]1[C@](C)(O)C(=O)[C@@]2(O)C[C@](C)(O)C[C@@H](C)[C@@H]2[C@]1(C)C(=O)\C=C\N(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C37H45NO5/c1-7-24(2)31-35(5,32-25(3)22-34(4,41)23-37(32,43)33(40)36(31,6)42)30(39)19-20-38(28-15-9-8-10-16-28)29-18-17-26-13-11-12-14-27(26)21-29/h8-21,24-25,31-32,41-43H,7,22-23H2,1-6H3/b20-19+/t24?,25-,31-,32-,34-,35-,36+,37-/m1/s1

> <INCHI_KEY>
PBODNUVAXAPXJH-YTOGWHTISA-N

> <FORMULA>
C37H45NO5

> <MOLECULAR_WEIGHT>
583.769

> <EXACT_MASS>
583.329773553

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
66.51913920763799

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4R,4aR,5R,7R,8aR)-3-(butan-2-yl)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2E)-3-[(naphthalen-2-yl)(phenyl)amino]prop-2-enoyl]-decahydronaphthalen-1-one

> <JCHEM_LOGP>
7.018011905333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.193847410479584

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.450707828204603

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8248971025225647

> <JCHEM_POLAR_SURFACE_AREA>
98.07000000000001

> <JCHEM_REFRACTIVITY>
170.03490000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4R,4aR,5R,7R,8aR)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2E)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3H-naphthalen-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.116  -3.782   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.577  -3.728   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.760  -5.034   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.313  -4.508   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.483  -6.394   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.022  -6.448   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.808  -4.923   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -6.487  -5.972   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -5.745  -7.807   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -7.285  -7.861   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -4.929  -9.113   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -6.468  -9.167   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -5.652 -10.473   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.836 -11.779   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.264 -12.356   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -4.516 -13.286   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -3.297 -11.725   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.574 -10.366   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.035 -10.312   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.390  -9.060   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.283  -8.375   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.000  -7.700   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0       0.000  -3.080   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   21                                                  
CONECT    6    5    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13   20                                             
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   16   17                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   14   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   11   21                                                  
CONECT   21   20    5   22   23                                             
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   34                                                  
CONECT   28   27   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   28                                                       
CONECT   34   27   35   43                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   42                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   37   43                                                  
CONECT   43   42   34                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₇H₄₅NO₅

Average Mass

583.7690 Da

Monoisotopic Mass

583.32977 Da

IUPAC Name

(2S,3R,4R,4aR,5R,7R,8aR)-3-(butan-2-yl)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2E)-3-[(naphthalen-2-yl)(phenyl)amino]prop-2-enoyl]-decahydronaphthalen-1-one

Traditional Name

(2S,3R,4R,4aR,5R,7R,8aR)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2E)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3H-naphthalen-1-one

CAS Registry Number

Not Available

SMILES

CCC(C)[C@H]1[C@](C)(O)C(=O)[C@@]2(O)C[C@](C)(O)C[C@@H](C)[C@@H]2[C@]1(C)C(=O)\C=C\N(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1

InChI Identifier

InChI=1S/C37H45NO5/c1-7-24(2)31-35(5,32-25(3)22-34(4,41)23-37(32,43)33(40)36(31,6)42)30(39)19-20-38(28-15-9-8-10-16-28)29-18-17-26-13-11-12-14-27(26)21-29/h8-21,24-25,31-32,41-43H,7,22-23H2,1-6H3/b20-19+/t24?,25-,31-,32-,34-,35-,36+,37-/m1/s1

InChI Key

PBODNUVAXAPXJH-YTOGWHTISA-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 naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Naphthalenes

Sub Class

Not Available

Direct Parent

Naphthalenes

Alternative Parents

Substituents

Naphthalene
Aniline or substituted anilines
Tertiary aliphatic/aromatic amine
Acyloin
Monocyclic benzene moiety
Acryloyl-group
Cyclic alcohol
Vinylogous amide
Alpha,beta-unsaturated ketone
Tertiary alcohol
Enone
Tertiary amine
Ketone
Allylamine
Enamine
Polyol
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Alcohol
Organic oxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic 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	7.02	ChemAxon
pKa (Strongest Acidic)	12.45	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	98.07 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	170.03 m³·mol⁻¹	ChemAxon
Polarizability	66.52 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

8850156

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10674806

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one (NP0218341)

MOL for NP0218341 ((2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one)

3D MOL for NP0218341 ((2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one)

3D SDF for NP0218341 ((2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one)

3D-SDF for NP0218341 ((2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one)

PDB for NP0218341 ((2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one)

3D PDB for NP0218341 ((2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one)

SMILES for NP0218341 ((2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one)

INCHI for NP0218341 ((2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one)

Structure for NP0218341 ((2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one)

3D Structure for NP0218341 ((2s,3r,4r,4ar,5r,7r,8ar)-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(2e)-3-[naphthalen-2-yl(phenyl)amino]prop-2-enoyl]-3-(sec-butyl)-tetrahydro-3h-naphthalen-1-one)