NP-MRD: Showing NP-Card for (2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal (NP0288216)

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Record Information

Version

1.0

Created at

2022-09-09 17:49:54 UTC

Updated at

2022-09-09 17:49:54 UTC

NP-MRD ID

NP0288216

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal

Description

(2E)-2-{2-[(6aR,7S,8R,10aS)-7,8-dimethyl-3-oxo-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. It was first documented in 1993 (PMID: 36137062). Based on a literature review a significant number of articles have been published on (2E)-2-{2-[(6aR,7S,8R,10aS)-7,8-dimethyl-3-oxo-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal (PMID: 36137063) (PMID: 36137748) (PMID: 36137747) (PMID: 36137746).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 53  0  0  0  0  0  0  0  0999 V2000
    4.3486   -0.3318    2.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3918    0.9736    1.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    1.2289    0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300    2.5278   -0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5066    3.4268    0.1239 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6834    0.1793   -0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2736    0.7156    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1963   -0.2252   -0.4153 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4159   -0.5753   -1.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1619   -1.4624    0.4250 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3852   -2.7567   -0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0728   -1.6343    1.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3671   -1.4808    0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3086   -0.3381   -0.4807 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5695   -0.8431   -1.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8911   -1.4236   -1.6545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5562   -0.4753   -0.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7791   -0.4313   -0.5620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5539    0.4961   -0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814    1.7486    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3389    2.4935    0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1798    1.9212   -0.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1447    0.4681   -0.1638 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0653   -0.2799    3.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5708   -1.1772    1.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3160   -0.5166    2.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0795    1.7730    1.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0839    2.6879   -1.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9807   -0.2268   -1.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7888   -0.6741    0.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0635    1.0254    1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    1.5831   -0.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4204   -0.2073   -2.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2956    0.0245   -2.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4115   -1.6355   -2.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0029   -1.3621    1.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4740   -3.0111   -0.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3849   -3.5721    0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3226   -2.8794   -0.8148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0308   -1.0658    2.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0677   -2.7113    1.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1584   -1.2445    1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6252   -2.4308    0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700   -1.6608   -2.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6468   -0.0057   -2.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5128    2.2740    0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1174    2.4025    1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4659    3.5305    0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336    2.4850   -0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3451    2.1726   -1.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1246    0.5011    0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  6  1  0
  6  7  1  0
  8  7  1  1
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 14 13  1  1
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
  3  4  1  0
  4  5  2  0
 23  8  1  0
 19 14  1  0
 23 14  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
  9 33  1  0
  9 34  1  0
  9 35  1  0
 10 36  1  1
 11 37  1  0
 11 38  1  0
 11 39  1  0
 12 40  1  0
 12 41  1  0
 13 42  1  0
 13 43  1  0
 15 44  1  0
 15 45  1  0
 20 46  1  0
 21 47  1  0
 21 48  1  0
 22 49  1  0
 22 50  1  0
 23 51  1  1
  4 28  1  0
M  END


  Mrv1652309092219492D          

 23 25  0  0  1  0            999 V2000
   -0.3923   -2.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1155   -3.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960   -3.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728   -4.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7843   -4.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306   -3.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538   -2.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4884   -1.6677    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0144   -2.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -1.2503    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0595   -1.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7825   -0.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2739   -0.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2114   -0.4351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6021    0.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9428    0.8725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627    0.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3189    1.3899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9286   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6403   -0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346   -1.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9173   -1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2057   -1.2601    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  6  0  0  0
 14 23  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0288216

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C(/CC[C@@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=CCC[C@H]13)C=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H28O3/c1-4-15(12-21)9-10-19(3)14(2)8-11-20-13-23-18(22)16(20)6-5-7-17(19)20/h4,6,12,14,17H,5,7-11,13H2,1-3H3/b15-4+/t14-,17-,19+,20-/m1/s1

> <INCHI_KEY>
HQZFZAIOHQONTD-RHRPYDBBSA-N

> <FORMULA>
C20H28O3

> <MOLECULAR_WEIGHT>
316.441

> <EXACT_MASS>
316.203844762

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
35.97591425673304

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-2-{2-[(6aR,7S,8R,10aS)-7,8-dimethyl-3-oxo-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal

> <JCHEM_LOGP>
4.223950179666668

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.160408167441441

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
92.14309999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-2-{2-[(6aR,7S,8R,10aS)-7,8-dimethyl-3-oxo-1H,5H,6H,6aH,8H,9H,10H-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal

> <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      -0.732  -5.181   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.216  -6.632   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.299  -6.909   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.816  -8.360   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.331  -8.638   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       2.297  -5.737   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.780  -4.286   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.778  -3.113   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.760  -4.299   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.450  -2.334   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.111  -3.095   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.461  -0.794   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.378  -0.143   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.128  -0.812   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.991   0.226   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.627   1.629   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.157   1.457   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.195   2.594   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.467  -0.051   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.795  -0.831   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.785  -2.370   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.446  -3.131   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.117  -2.352   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    6                                                  
CONECT    4    3    5                                                       
CONECT    5    4                                                            
CONECT    6    3    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10   23                                             
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   19   23                                             
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   14   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   14    8                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₈O₃

Average Mass

316.4410 Da

Monoisotopic Mass

316.20384 Da

IUPAC Name

(2E)-2-{2-[(6aR,7S,8R,10aS)-7,8-dimethyl-3-oxo-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal

Traditional Name

(2E)-2-{2-[(6aR,7S,8R,10aS)-7,8-dimethyl-3-oxo-1H,5H,6H,6aH,8H,9H,10H-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal

CAS Registry Number

Not Available

SMILES

C\C=C(/CC[C@@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=CCC[C@H]13)C=O

InChI Identifier

InChI=1S/C20H28O3/c1-4-15(12-21)9-10-19(3)14(2)8-11-20-13-23-18(22)16(20)6-5-7-17(19)20/h4,6,12,14,17H,5,7-11,13H2,1-3H3/b15-4+/t14-,17-,19+,20-/m1/s1

InChI Key

HQZFZAIOHQONTD-RHRPYDBBSA-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 diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpene lactone
Diterpenoid
Clerodane diterpenoid
Naphthofuran
Gamma butyrolactone
Alpha,beta-unsaturated aldehyde
Enal
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Carboxylic acid ester
Lactone
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxide
Aldehyde
Carbonyl group
Organic oxygen compound
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	4.22	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	43.37 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	92.14 m³·mol⁻¹	ChemAxon
Polarizability	35.98 Å³	ChemAxon
Number of Rings	3	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

58828905

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162960488

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Salisbury L, Baraitser L: Depressing time: Waiting, melancholia, and the psychoanalytic practice of care. 2020. [PubMed:36137063 ]
Heimer G, Neuser S, Ben-Zeev B, Ebrahimi-Fakhari D: TECPR2-Related Hereditary Sensory and Autonomic Neuropathy with Intellectual Disability. 1993. [PubMed:36137062 ]
Tibbe D, Ferle P, Krisp C, Nampoothiri S, Mirzaa G, Assaf M, Parikh S, Kutsche K, Kreienkamp HJ: Regulation of Liprin-alpha phase separation by CASK is disrupted by a mutation in its CaM kinase domain. Life Sci Alliance. 2022 Sep 22;5(10). pii: 5/10/e202201512. doi: 10.26508/lsa.202201512. Print 2022 Oct. [PubMed:36137748 ]
Sengupta R, Mihelc EM, Angel S, Lanman JK, Kuhn RJ, Stahelin RV: Contribution of the Golgi apparatus in morphogenesis of a virus-induced cytopathic vacuolar system. Life Sci Alliance. 2022 Sep 22;5(10). pii: 5/10/e202000887. doi: 10.26508/lsa.202000887. Print 2022 Oct. [PubMed:36137747 ]
Cui Y, Peng S, Czaplicki L, Yang T: Protecting minors from tobacco products: public interest litigation enables enforcement in China. Tob Control. 2022 Sep 22. pii: tc-2022-057615. doi: 10.1136/tc-2022-057615. [PubMed:36137746 ]
LOTUS database [Link]

Showing NP-Card for (2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal (NP0288216)

MOL for NP0288216 ((2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal)

3D MOL for NP0288216 ((2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal)

3D SDF for NP0288216 ((2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal)

3D-SDF for NP0288216 ((2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal)

PDB for NP0288216 ((2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal)

3D PDB for NP0288216 ((2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal)

SMILES for NP0288216 ((2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal)

INCHI for NP0288216 ((2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal)

Structure for NP0288216 ((2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal)

3D Structure for NP0288216 ((2e)-2-{2-[(6ar,7s,8r,10as)-7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl]ethyl}but-2-enal)