NP-MRD: Showing NP-Card for Marmin (NP0075560)

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Record Information

Version

2.0

Created at

2022-04-28 20:49:44 UTC

Updated at

2022-04-28 20:49:44 UTC

NP-MRD ID

NP0075560

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Marmin

Description

Marmin belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Marmin is found in Aegle marmelos , Citrus aurantium, Citrus hassaku, Citrus junos, Citrus paradisi and Deverra triradiata. Marmin was first documented in 2014 (PMID: 24660448). Based on a literature review a small amount of articles have been published on Marmin (PMID: 33898812) (PMID: 32851864) (PMID: 28511341) (PMID: 26930983).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 49  0  0  0  0  0  0  0  0999 V2000
    0.5753   -2.0514   -1.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165   -1.2910   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5265   -0.3605    0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8851   -0.1070    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148   -0.3464    1.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0682   -0.1974    1.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8442   -0.4463    2.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2068   -0.2904    2.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8027    0.0856    0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1686    0.2373    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6844    0.6215   -0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8052    0.8363   -1.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2680    1.1886   -2.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5140    0.6841   -1.3854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9955    0.3203   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6294    0.1850   -0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6035   -1.6266    0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3351   -0.8269    1.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    0.5940    0.9121 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3106    1.1532    2.0058 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5429    0.8004   -0.2763 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8899    0.1530   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7258    2.2974   -0.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0254    0.3261   -1.4712 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964   -1.3214   -2.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735   -2.8066   -1.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3508   -2.5748   -0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8362    0.2383    1.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0036    0.9701   -0.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1344   -0.7029   -0.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3948   -0.7461    3.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8116   -0.4851    2.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7916    0.0550    1.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7384    0.7566   -0.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0135    0.3769   -1.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6385   -2.7403    0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1349   -1.6680   -0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7856   -0.8267    2.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2737   -1.4074    1.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366    1.1711    0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6916    1.7349    2.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8585   -0.9344   -0.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200    0.6082   -0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2810    0.3054    0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6938    2.5471   -0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5907    2.8294    0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9181    2.6595   -1.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7229    0.0226   -2.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  6
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16  6  1  0
 15  9  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
 17 36  1  0
 17 37  1  0
 18 38  1  0
 18 39  1  0
 19 40  1  6
 20 41  1  0
 22 42  1  0
 22 43  1  0
 22 44  1  0
 23 45  1  0
 23 46  1  0
 23 47  1  0
 24 48  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  7 31  1  0
  8 32  1  0
 10 33  1  0
 11 34  1  0
 16 35  1  0
M  END


  Mrv1652304282222492D          

 24 25  0  0  1  0            999 V2000
   -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
    0.0000   -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
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   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 O   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
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    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    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138    2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5888    1.3480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 O   0  0  0  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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 11  1  0  0  0  0
  1 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  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  6  0  0  0
 15 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0075560

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(CC[C@@H](O)C(C)(C)O)=C/COC1=CC=C2C=CC(=O)OC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H24O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,17,20,22H,4,8,11H2,1-3H3/b13-10+/t17-/m1/s1

> <INCHI_KEY>
QYYKWTUUCOTGNS-JIIJFUIFSA-N

> <FORMULA>
C19H24O5

> <MOLECULAR_WEIGHT>
332.396

> <EXACT_MASS>
332.162373873

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
36.60988389811982

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
7-{[(2E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-2H-chromen-2-one

> <ALOGPS_LOGP>
3.10

> <JCHEM_LOGP>
2.506209903666667

> <ALOGPS_LOGS>
-4.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.3213974850486

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.84245203230343

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0892666189709015

> <JCHEM_POLAR_SURFACE_AREA>
75.99000000000001

> <JCHEM_REFRACTIVITY>
93.28020000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.54e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-{[(2E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}chromen-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   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       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.335  -0.000   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -9.336   3.850   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -10.669   3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -10.106   5.184   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -8.566   2.516   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -8.002   6.160   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
CONECT    1    2    6   12                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   11                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10    4                                                       
CONECT   12    1   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   24                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20   21   22                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   19                                                            
CONECT   23   18                                                            
CONECT   24   15                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Value	Source
7-(6',7'-Dihydroxygeranyloxy)coumarin	MeSH

Chemical Formula

C₁₉H₂₄O₅

Average Mass

332.3960 Da

Monoisotopic Mass

332.16237 Da

IUPAC Name

7-{[(2E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-2H-chromen-2-one

Traditional Name

7-{[(2E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}chromen-2-one

CAS Registry Number

Not Available

SMILES

C\C(CC[C@@H](O)C(C)(C)O)=C/COC1=CC=C2C=CC(=O)OC2=C1

InChI Identifier

InChI=1S/C19H24O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,17,20,22H,4,8,11H2,1-3H3/b13-10+/t17-/m1/s1

InChI Key

QYYKWTUUCOTGNS-JIIJFUIFSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Aegle marmelos	Plant	KNApSAcK
Citrus aurantium	LOTUS Database	35616633
Citrus hassaku	LOTUS Database	35616633
Citrus junos	LOTUS Database	35616633
Citrus paradisi	Plant	KNApSAcK
Deverra triradiata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Sub Class

Not Available

Direct Parent

Coumarins and derivatives

Alternative Parents

Substituents

Coumarin
Benzopyran
1-benzopyran
Fatty alcohol
Phenol ether
Alkyl aryl ether
Pyranone
Fatty acyl
Pyran
Benzenoid
Heteroaromatic compound
Tertiary alcohol
Secondary alcohol
1,2-diol
Lactone
Oxacycle
Ether
Organoheterocyclic compound
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen 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	3.1	ALOGPS
logP	2.51	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	13.84	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	75.99 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	93.28 m³·mol⁻¹	ChemAxon
Polarizability	36.61 Å³	ChemAxon
Number of Rings	2	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

C00019931

Chemspider ID

4952845

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6450230

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Oueslati MH, Guetat A, Bouajila J, Alzahrani AK, Basha J: Deverra tortuosa (Desf.) DC from Saudi Arabia as a new source of marmin and furanocoumarins derivatives with alpha-glucosidase, antibacterial and cytotoxic activities. Heliyon. 2021 Apr 5;7(4):e06656. doi: 10.1016/j.heliyon.2021.e06656. eCollection 2021 Apr. [PubMed:33898812 ]
Aung HT, Zar T, Sein MM, Komori Y, Vidari G, Takaya Y: Constituents of Aegle marmelos from Myanmar. J Asian Nat Prod Res. 2021 Sep;23(9):844-850. doi: 10.1080/10286020.2020.1804378. Epub 2020 Aug 27. [PubMed:32851864 ]
Krushna GS, Shivaranjani VL, Umamaheswari J, Srinivasulu C, Hussain SA, Kareem MA, Reddy VD, Ali D, Lokhande KB, Swamy KV, Kodidhela LD: In vivo and molecular docking studies using whole extract and phytocompounds of Aegle marmelos fruit protective effects against Isoproterenol-induced Myocardial infarction in rats. Biomed Pharmacother. 2017 Jul;91:880-889. doi: 10.1016/j.biopha.2017.04.115. Epub 2017 May 12. [PubMed:28511341 ]
Xu YR, Zhang KF, Xie QJ, Lin JX, Huan KX, Liao Y: [Chemical Constituents from Young Fruits of Citrus maxima cv. Shatian]. Zhong Yao Cai. 2015 Sep;38(9):1879-81. [PubMed:26930983 ]
Liu S, Yang W, Liu SB, Wang H, Guo ZK, Zeng YB, Dong WH, Mei WL, Dai HF: A new dolabellane diterpenoid and a sesquilignan from Aglaia odorata var. microphyllina. Nat Prod Commun. 2014 Jan;9(1):7-8. [PubMed:24660448 ]

Showing NP-Card for Marmin (NP0075560)

MOL for NP0075560 (Marmin)

3D MOL for NP0075560 (Marmin)

3D SDF for NP0075560 (Marmin)

3D-SDF for NP0075560 (Marmin)

PDB for NP0075560 (Marmin)

3D PDB for NP0075560 (Marmin)

SMILES for NP0075560 (Marmin)

INCHI for NP0075560 (Marmin)

Structure for NP0075560 (Marmin)

3D Structure for NP0075560 (Marmin)