NP-MRD: Showing NP-Card for 3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan (NP0256500)

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Record Information

Version

2.0

Created at

2022-09-07 21:21:09 UTC

Updated at

2022-09-07 21:21:10 UTC

NP-MRD ID

NP0256500

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan

Description

Coronarin E belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations. 3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan is found in Alpinia chinensis, Curcuma comosa, Hedychium coronarium, Hedychium gardnerianum and Hedychium spicatum. 3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan was first documented in 2010 (PMID: 19960422). Based on a literature review a small amount of articles have been published on Coronarin E (PMID: 34143941) (PMID: 35670907) (PMID: 33041813) (PMID: 27352383).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 51  0  0  0  0  0  0  0  0999 V2000
    1.6134   -2.4494   -1.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6702   -1.5414   -1.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6009   -1.7562   -2.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8096   -1.2905   -1.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5986   -0.0410   -0.7081 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8346    0.3455    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9408   -0.6973   -0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4191    1.6142   -0.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6406    0.6578    1.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4409    1.5630    1.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1841    0.8919    1.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962   -0.2371    0.1790 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4137   -1.5511    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022   -0.2637   -0.7725 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0766   -0.1183   -0.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8634    0.9135   -0.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1464    1.1358    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7802    0.3918    1.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9978    0.9978    1.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0846    2.0570    0.7366 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0046    2.1743   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591   -3.3554   -2.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5724   -2.3572   -1.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7391   -2.8507   -2.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5077   -1.2642   -3.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5847   -1.0240   -2.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3006   -2.0993   -0.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073    0.7626   -1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347   -0.9277   -1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8402   -0.2036    0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7369   -1.5826    0.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1122    2.1244    0.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5550    2.2999   -0.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8949    1.3672   -1.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6127   -0.2154    2.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5314    1.2756    1.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3960    1.9111    2.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6296    2.4669    0.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2994    0.4561    2.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244    1.6555    0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1300   -1.4369    1.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4100   -2.0394    0.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925   -2.2973    0.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    0.5583   -1.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029   -0.8230    0.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5256    1.6104   -1.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4361   -0.4988    1.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7581    0.6998    2.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8673    2.9911   -0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  1
 12  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  2  3
  2 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 21  2  0
 21 20  1  0
 20 19  1  0
 19 18  2  0
  5  6  1  0
 18 17  1  0
 14 12  1  0
  7 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 13 41  1  0
 13 42  1  0
 13 43  1  0
  5 28  1  6
  4 26  1  0
  4 27  1  0
  3 24  1  0
  3 25  1  0
  1 22  1  0
  1 23  1  0
 14 44  1  6
 15 45  1  0
 16 46  1  0
 21 49  1  0
 19 48  1  0
 18 47  1  0
M  END


  Mrv1652309072223212D          

 21 23  0  0  1  0            999 V2000
    0.0000   -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
    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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3276    0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3882    0.6320    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  1  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
    1.4289   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109   -4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -4.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -4.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -4.1974    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  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0256500

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)CCC[C@@]2(C)[C@H]1CCC(=C)[C@@H]2\C=C\C1=COC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H28O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h7-8,10,13-14,17-18H,1,5-6,9,11-12H2,2-4H3/b8-7+/t17-,18-,20+/m0/s1

> <INCHI_KEY>
QXVXYNOIXUIXBI-NDLVVHCESA-N

> <FORMULA>
C20H28O

> <MOLECULAR_WEIGHT>
284.443

> <EXACT_MASS>
284.214015522

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
34.64574706138223

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]ethenyl]furan

> <JCHEM_LOGP>
5.664332494333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.83240408874685

> <JCHEM_POLAR_SURFACE_AREA>
13.14

> <JCHEM_REFRACTIVITY>
89.4035

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethenyl]furan

> <JCHEM_VEBER_RULE>
1

$$$$

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       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.345   1.180   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.325   1.180   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  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001  -3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.247  -7.835   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.771  -9.300   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.231  -9.300   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.755  -7.835   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   14                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    5   13   14                                             
CONECT   13   12                                                            
CONECT   14   12    2   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   17                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Value	Source
(+)-Coronarin e	MeSH

Chemical Formula

C₂₀H₂₈O

Average Mass

284.4430 Da

Monoisotopic Mass

284.21402 Da

IUPAC Name

3-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]ethenyl]furan

Traditional Name

3-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethenyl]furan

CAS Registry Number

Not Available

SMILES

CC1(C)CCC[C@@]2(C)[C@H]1CCC(=C)[C@@H]2\C=C\C1=COC=C1

InChI Identifier

InChI=1S/C20H28O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h7-8,10,13-14,17-18H,1,5-6,9,11-12H2,2-4H3/b8-7+/t17-,18-,20+/m0/s1

InChI Key

QXVXYNOIXUIXBI-NDLVVHCESA-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
Alpinia chinensis	LOTUS Database	35616633
Curcuma comosa	LOTUS Database	35616633
Hedychium coronarium	LOTUS Database	35616633
Hedychium gardnerianum	LOTUS Database	35616633
Hedychium spicatum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Colensane and clerodane diterpenoids

Alternative Parents

Substituents

Clerodane diterpenoid
Heteroaromatic compound
Furan
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	5.66	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	13.14 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	89.4 m³·mol⁻¹	ChemAxon
Polarizability	34.65 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

C00032858

Chemspider ID

8146736

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9971144

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kumrit I, Suksamrarn A, Meepawpan P, Songsri S, Nuntawong N: Labdane-type diterpenes from Hedychium gardnerianum with potent cytotoxicity against human small cell lung cancer cells. Phytother Res. 2010 Jul;24(7):1009-13. doi: 10.1002/ptr.3057. [PubMed:19960422 ]
Subramanyan S, Deepika S, Ajith A, Joseph Gracy A, Dan M, Maiti KK, Varma RL, Radhakrishnan KV: Antiproliferative labdane diterpenes from the rhizomes of Hedychium flavescens Carey ex Roscoe. Chem Biol Drug Des. 2021 Oct;98(4):501-506. doi: 10.1111/cbdd.13906. Epub 2021 Jun 29. [PubMed:34143941 ]
Nag A, Verma P, Paul S, Kundu R: In Silico Analysis of the Apoptotic and HPV Inhibitory Roles of Some Selected Phytochemicals Detected from the Rhizomes of Greater Cardamom. Appl Biochem Biotechnol. 2022 Oct;194(10):4867-4891. doi: 10.1007/s12010-022-04006-3. Epub 2022 Jun 7. [PubMed:35670907 ]
Tian M, Wu X, Lu T, Zhao X, Wei F, Deng G, Zhou Y: Phytochemical Analysis, Antioxidant, Antibacterial, Cytotoxic, and Enzyme Inhibitory Activities of Hedychium flavum Rhizome. Front Pharmacol. 2020 Sep 17;11:572659. doi: 10.3389/fphar.2020.572659. eCollection 2020. [PubMed:33041813 ]
Chen LG, Su PJ, Tsai PW, Yang LL, Wang CC: Intermedin A, a New Labdane Diterpene Isolated from Alpinia intermedia, Prolonged the Survival Time of P-388D1 Tumor-Bearing CDF1 Mice. Planta Med. 2017 Jan;83(1-02):151-157. doi: 10.1055/s-0042-109779. Epub 2016 Jun 28. [PubMed:27352383 ]
LOTUS database [Link]

Showing NP-Card for 3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan (NP0256500)

MOL for NP0256500 (3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan)

3D MOL for NP0256500 (3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan)

3D SDF for NP0256500 (3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan)

3D-SDF for NP0256500 (3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan)

PDB for NP0256500 (3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan)

3D PDB for NP0256500 (3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan)

SMILES for NP0256500 (3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan)

INCHI for NP0256500 (3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan)

Structure for NP0256500 (3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan)

3D Structure for NP0256500 (3-[(1e)-2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethenyl]furan)