NP-MRD: Showing NP-Card for Isodeoxyelephantopin (NP0140433)

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Record Information

Version

2.0

Created at

2022-06-29 21:34:02 UTC

Updated at

2022-06-29 21:34:02 UTC

NP-MRD ID

NP0140433

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Isodeoxyelephantopin

Description

Deoxyelephantopin belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Isodeoxyelephantopin was first documented in 2022 (PMID: 35794978). Based on a literature review a small amount of articles have been published on Deoxyelephantopin (PMID: 35850524) (PMID: 35563442) (PMID: 35408483).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 47  0  0  0  0  0  0  0  0999 V2000
    5.4168    0.4202    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1642    0.7240   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8337    1.8995   -0.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1102   -0.1010    0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4156   -1.0893    1.2458 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7636    0.1446    0.3419 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7027   -0.6291    0.8584 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0869    0.0604    1.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0197    1.1048    1.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0950    1.5984    1.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9471    2.0119    0.7710 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5171    0.8015    0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    0.4683   -1.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8357    1.4219   -2.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1238   -0.6309   -1.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5335   -1.3446   -0.0981 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9539   -2.6893   -0.2772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9280   -3.5596    0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0128   -4.7317    0.5151 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2799   -2.8310   -0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4779   -3.3768   -0.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710   -1.3928   -0.1680 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9469    2.6904   -0.0055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557    1.7983    0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0119    1.6894   -0.7488 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6951   -0.4470    0.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1996    1.0481   -0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021    1.5153   -1.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7474    2.3852   -1.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1818    2.5812   -0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2622   -1.4422    1.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6551    0.4650    2.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5898   -0.7889    2.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5598    1.8199    2.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7233    2.7253    1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6335    0.0256    0.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5899    1.0095   -0.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5776    1.0540   -3.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1802    2.4267   -1.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8554    1.5321   -2.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9513   -1.0942   -2.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9455   -1.0793    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386   -2.7576   -0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6243   -4.4430   -0.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2504   -0.9933   -1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0
  2  1  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 20 22  1  0
 11 23  1  0
 23 24  1  0
 24 25  2  0
 22  7  1  0
 24  9  1  0
 22 16  1  0
  3 28  1  0
  3 29  1  0
  3 30  1  0
  1 26  1  0
  1 27  1  0
  7 31  1  1
  8 32  1  0
  8 33  1  0
 10 34  1  0
 11 35  1  1
 12 36  1  0
 12 37  1  0
 14 38  1  0
 14 39  1  0
 14 40  1  0
 15 41  1  0
 16 42  1  1
 21 43  1  0
 21 44  1  0
 22 45  1  6
M  END


  Mrv1652306292223342D          

 25 27  0  0  1  0            999 V2000
    4.1642    2.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0269    1.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7582    1.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1253    0.6245    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9879   -0.1890    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3987   -0.7665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5826   -0.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8513   -0.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2333    0.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6559    0.8152    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2108    1.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9171    0.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0378   -0.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4486   -0.9454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7658   -1.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3095   -2.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6765   -2.9314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4861   -2.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297   -2.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190   -1.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7192   -0.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8400   -1.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3084    0.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1219   -0.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9414    0.7452    0.0000 O   0  0  0  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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 10 12  1  1  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
  6 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  5 21  1  6  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  4 25  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0140433

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H20O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,13-16H,1,4-5,8H2,2-3H3/b10-6-/t13-,14+,15-,16-/m0/s1

> <INCHI_KEY>
JMUOPRSXUVOHFE-VTXNWFHJSA-N

> <FORMULA>
C19H20O6

> <MOLECULAR_WEIGHT>
344.363

> <EXACT_MASS>
344.125988364

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
33.95162473727183

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3S,4R,8R,9E,12S)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.0^{4,8}]pentadeca-1(15),9-dien-3-yl 2-methylprop-2-enoate

> <ALOGPS_LOGP>
1.50

> <JCHEM_LOGP>
3.155993076666666

> <ALOGPS_LOGS>
-3.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.566343787697537

> <JCHEM_PKA_STRONGEST_BASIC>
-6.39251525198143

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
89.4139

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.49e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S,4R,8R,9E,12S)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.0^{4,8}]pentadeca-1(15),9-dien-3-yl 2-methylprop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUN-22         0                                  
HETATM    1  C   UNK     0       7.773   4.776   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.517   3.258   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.882   2.545   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.567   1.166   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.311  -0.353   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.211  -1.431   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.687  -1.656   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.323  -0.943   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.036   0.422   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.958   1.522   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.994   3.032   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       3.578   0.837   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       3.804  -0.687   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.704  -1.765   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       8.896  -2.810   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       8.044  -4.093   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       8.730  -5.472   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.507  -3.997   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.656  -5.280   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.822  -2.618   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.676  -1.066   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.901  -2.589   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.776   0.012   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      13.294  -0.244   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      11.091   1.391   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   11                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   25                                                  
CONECT    5    4    6   21                                                  
CONECT    6    5    7   15                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10    2                                                       
CONECT   12   10   13                                                       
CONECT   13   12    8   14                                                  
CONECT   14   13                                                            
CONECT   15    6   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    5   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23    4                                                       
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₀O₆

Average Mass

344.3630 Da

Monoisotopic Mass

344.12599 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(=C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C/[C@H]3OC(=O)C(=C)[C@H]13)OC2=O

InChI Identifier

InChI=1S/C19H20O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,13-16H,1,4-5,8H2,2-3H3/b10-6-/t13-,14+,15-,16-/m0/s1

InChI Key

JMUOPRSXUVOHFE-VTXNWFHJSA-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 terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Sesquiterpenoid
Tricarboxylic acid or derivatives
2-furanone
Gamma butyrolactone
Dihydrofuran
Oxolane
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Organic oxide
Carbonyl group
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00003246

Chemspider ID

33823770

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

92982622

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Cheng YT, Nakagawa-Goto K, Lee KH, Shyur LF: MicroRNA-Mediated Mitochondrial Dysfunction Is Involved in the Anti-triple-Negative Breast Cancer Cell Activity of Phytosesquiterpene Lactones. Antioxid Redox Signal. 2023 Jan;38(1-3):198-214. doi: 10.1089/ars.2021.0251. Epub 2022 Sep 13. [PubMed:35850524 ]
Ji D, Hou L, Xie C, Feng H, Bao D, Teng Y, Liu J, Cui T, Wang X, Xu Y, Tan G: Deoxyelephantopin Suppresses Pancreatic Cancer Progression In Vitro and In Vivo by Targeting linc00511/miR-370-5p/p21 Promoter Axis. J Oncol. 2022 Jun 25;2022:3855462. doi: 10.1155/2022/3855462. eCollection 2022. [PubMed:35794978 ]
Ji H, Zhang K, Pan G, Li C, Li C, Hu X, Yang L, Cui H: Deoxyelephantopin Induces Apoptosis and Enhances Chemosensitivity of Colon Cancer via miR-205/Bcl2 Axis. Int J Mol Sci. 2022 May 2;23(9):5051. doi: 10.3390/ijms23095051. [PubMed:35563442 ]
Mehmood T, Muanprasat C: Deoxyelephantopin and Its Isomer Isodeoxyelephantopin: Anti-Cancer Natural Products with Multiple Modes of Action. Molecules. 2022 Mar 24;27(7):2086. doi: 10.3390/molecules27072086. [PubMed:35408483 ]

Showing NP-Card for Isodeoxyelephantopin (NP0140433)

MOL for NP0140433 (Isodeoxyelephantopin)

3D MOL for NP0140433 (Isodeoxyelephantopin)

3D SDF for NP0140433 (Isodeoxyelephantopin)

3D-SDF for NP0140433 (Isodeoxyelephantopin)

PDB for NP0140433 (Isodeoxyelephantopin)

3D PDB for NP0140433 (Isodeoxyelephantopin)

SMILES for NP0140433 (Isodeoxyelephantopin)

INCHI for NP0140433 (Isodeoxyelephantopin)

Structure for NP0140433 (Isodeoxyelephantopin)

3D Structure for NP0140433 (Isodeoxyelephantopin)