NP-MRD: Showing NP-Card for deltoin (NP0220246)

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Record Information

Version

2.0

Created at

2022-09-05 21:30:09 UTC

Updated at

2022-09-05 21:30:10 UTC

NP-MRD ID

NP0220246

Secondary Accession Numbers

None

Natural Product Identification

Common Name

deltoin

Description

(-)-Deltoin, also known as deltoin, belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. deltoin is found in Cachrys sicula, Eryngium ilicifolium and Peucedanum japonicum. deltoin was first documented in 2013 (PMID: 23992840). Based on a literature review a small amount of articles have been published on (-)-Deltoin (PMID: 35872837) (PMID: 35528155) (PMID: 30229910) (PMID: 28714345).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 46  0  0  0  0  0  0  0  0999 V2000
   -6.1070   -0.9617    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7540   -0.3742    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9295   -0.3263   -0.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3544   -0.8695   -2.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6147    0.2563   -0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7935    0.3266   -1.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560    0.7442    0.6585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0453    1.3320    1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7039    2.5690    0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3213    1.8262    2.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0930    0.3769    1.0399 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4078    1.0310    1.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3866    0.2593    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7709    0.1271    0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4263   -0.6829   -0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7955   -0.7817   -0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616   -1.5951   -1.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7229   -2.2879   -2.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3425   -3.0247   -2.8324 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4099   -2.1714   -2.0629 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7608   -1.4026   -1.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896   -1.2747   -1.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7233   -0.4476   -0.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3440   -0.1946   -0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8097   -0.1511   -0.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4083   -1.4136    1.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0386   -1.7596   -0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4463    0.0230    1.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5620   -0.6509   -2.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3273   -0.4743   -2.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4846   -1.9697   -1.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    3.3252    0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6504    3.0066   -0.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513    2.2286   -0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5886    2.5805    2.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3639    0.9313    3.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3119    2.3029    2.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471   -0.4581    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4510    2.0860    1.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6140    0.9651    2.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2872    0.7000    1.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3715   -0.2300    0.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5377   -1.6667   -1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8452   -1.8293   -2.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 23  2  0
 23 24  1  0
 23 22  1  0
 22 21  2  0
 21 20  1  0
 20 18  1  0
 18 19  2  0
 18 17  1  0
 17 16  2  0
 16 15  1  0
 15 14  2  0
 24 11  1  0
 15 21  1  0
 14 13  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  4 29  1  0
  4 30  1  0
  4 31  1  0
  9 32  1  0
  9 33  1  0
  9 34  1  0
 10 35  1  0
 10 36  1  0
 10 37  1  0
 11 38  1  1
 12 39  1  0
 12 40  1  0
 22 44  1  0
 17 43  1  0
 16 42  1  0
 14 41  1  0
M  END


  Mrv1652309052223302D          

 24 26  0  0  1  0            999 V2000
   -2.7567   -0.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317   -0.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5192   -1.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942   -1.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2817   -0.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2817   -1.9354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5433   -1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5433   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5433   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683   -1.9354    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8532   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8532   -2.6029    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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11  8  1  6  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  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 13 23  2  0  0  0  0
 23 24  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0220246

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C(/C)C(=O)OC(C)(C)[C@@H]1CC2=C(O1)C=C1OC(=O)C=CC1=C2

> <INCHI_IDENTIFIER>
InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)16-9-13-8-12-6-7-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H3/b11-5+/t16-/m0/s1

> <INCHI_KEY>
HHNCJFKRMZDTHW-WQRDJFRPSA-N

> <FORMULA>
C19H20O5

> <MOLECULAR_WEIGHT>
328.364

> <EXACT_MASS>
328.131073744

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
34.97685037090475

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(2S)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl (2E)-2-methylbut-2-enoate

> <JCHEM_LOGP>
3.9453308416666673

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.882289168117905

> <JCHEM_POLAR_SURFACE_AREA>
61.83000000000001

> <JCHEM_REFRACTIVITY>
90.17069999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2S)-7-oxo-2H,3H-furo[3,2-g]chromen-2-yl]propan-2-yl (2E)-2-methylbut-2-enoate

> <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      -5.146  -0.945   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.606  -0.945   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.836  -2.279   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.606  -3.613   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.296  -2.279   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.526  -0.945   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -0.526  -3.613   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.014  -3.613   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.014  -5.153   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.014  -2.073   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.554  -3.613   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.459  -2.367   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.591  -2.843   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.925  -2.073   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.259  -2.843   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.259  -4.383   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      11.592  -5.153   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       8.925  -5.153   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       7.591  -4.383   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.258  -5.153   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.924  -4.383   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.459  -4.859   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8   12   24                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   23                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   15   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   13   24                                                  
CONECT   24   23   11                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
Deltoin	MeSH

Chemical Formula

C₁₉H₂₀O₅

Average Mass

328.3640 Da

Monoisotopic Mass

328.13107 Da

IUPAC Name

2-[(2S)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl (2E)-2-methylbut-2-enoate

Traditional Name

2-[(2S)-7-oxo-2H,3H-furo[3,2-g]chromen-2-yl]propan-2-yl (2E)-2-methylbut-2-enoate

CAS Registry Number

Not Available

SMILES

C\C=C(/C)C(=O)OC(C)(C)[C@@H]1CC2=C(O1)C=C1OC(=O)C=CC1=C2

InChI Identifier

InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)16-9-13-8-12-6-7-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H3/b11-5+/t16-/m0/s1

InChI Key

HHNCJFKRMZDTHW-WQRDJFRPSA-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
Cachrys sicula	LOTUS Database	35616633
Eryngium ilicifolium	LOTUS Database	35616633
Peucedanum japonicum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Sub Class

Furanocoumarins

Direct Parent

Psoralens

Alternative Parents

Substituents

Psoralen
Benzopyran
1-benzopyran
Coumaran
Alkyl aryl ether
Fatty acid ester
Pyranone
Pyran
Fatty acyl
Benzenoid
Enoate ester
Heteroaromatic compound
Alpha,beta-unsaturated carboxylic ester
Lactone
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Organoheterocyclic compound
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

furanocoumarin (CHEBI:81122 )

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	3.95	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	61.83 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	90.17 m³·mol⁻¹	ChemAxon
Polarizability	34.98 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

792657

KEGG Compound ID

C17482

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

906525

PDB ID

Not Available

ChEBI ID

81122

Good Scents ID

Not Available

References

General References

Shehzad O, Khan S, Ha IJ, Park Y, Tosun A, Kim YS: Application of stepwise gradients in counter-current chromatography: a rapid and economical strategy for the one-step separation of eight coumarins from Seseli resinosum. J Chromatogr A. 2013 Oct 4;1310:66-73. doi: 10.1016/j.chroma.2013.08.033. Epub 2013 Aug 16. [PubMed:23992840 ]
Chang J, Jiang Z, Jin W, Wang Y, Li J, Chen J, Li H, Feng L: The Molecular Mechanism of Traditional Chinese Medicine Prescription: Gu-tong Formula in Relieving Osteolytic Bone Destruction. Biomed Res Int. 2022 Jul 13;2022:4931368. doi: 10.1155/2022/4931368. eCollection 2022. [PubMed:35872837 ]
Guo JF, Zhao YT, Du QY, Ren Y, Wang Y, Wang ZX, Jin W: The Network Pharmacology Study of Dahuang Fuzi Decoction for Treating Incomplete Intestinal Obstruction. Biomed Res Int. 2022 Apr 28;2022:2775434. doi: 10.1155/2022/2775434. eCollection 2022. [PubMed:35528155 ]
Znati M, Debbabi M, Romdhane A, Ben Jannet H, Bouajila J: Synthesis of new anticancer and anti-inflammatory isoxazolines and aziridines from the natural (-)-deltoin. J Pharm Pharmacol. 2018 Dec;70(12):1700-1712. doi: 10.1111/jphp.13013. Epub 2018 Sep 19. [PubMed:30229910 ]
Bouratoua A, Khalfallah A, Bensouici C, Kabouche Z, Alabdul Magid A, Harakat D, Voutquenne-Nazabadioko L, Kabouche A: Chemical composition and antioxidant activity of aerial parts of Ferula longipes Coss. ex Bonnier and Maury. Nat Prod Res. 2018 Aug;32(16):1873-1880. doi: 10.1080/14786419.2017.1353513. Epub 2017 Jul 16. [PubMed:28714345 ]
LOTUS database [Link]

Showing NP-Card for deltoin (NP0220246)

MOL for NP0220246 (deltoin)

3D MOL for NP0220246 (deltoin)

3D SDF for NP0220246 (deltoin)

3D-SDF for NP0220246 (deltoin)

PDB for NP0220246 (deltoin)

3D PDB for NP0220246 (deltoin)

SMILES for NP0220246 (deltoin)

INCHI for NP0220246 (deltoin)

Structure for NP0220246 (deltoin)

3D Structure for NP0220246 (deltoin)