NP-MRD: Showing NP-Card for epi-silvestrol (NP0182670)

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Record Information

Version

2.0

Created at

2022-09-03 21:25:23 UTC

Updated at

2022-09-03 21:25:24 UTC

NP-MRD ID

NP0182670

Secondary Accession Numbers

None

Natural Product Identification

Common Name

epi-silvestrol

Description

Epi-silvestrol belongs to the class of organic compounds known as flavaglines. These are heterocyclic compounds with a structure characterized by a cyclopenta[b]benzofuran skeleton. Epi-silvestrol is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. epi-silvestrol is found in Aglaia foveolata and Aglaia silvestris. epi-silvestrol was first documented in 2010 (PMID: 20939540). Based on a literature review very few articles have been published on epi-silvestrol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032223252D          

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M  END

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M  END


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    2.7942   -0.5840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5238    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7136    0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432    1.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9831    1.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7127    2.5338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2526    3.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7933    1.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0636    0.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4519   -0.0860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1288   -0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9322   -0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4962   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2997   -0.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8637   -1.3871    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6671   -1.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2311   -1.8018    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0345   -1.6144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2740   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5986   -2.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4020   -2.0291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -2.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1883   -2.7787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6242   -2.1766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8208   -2.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5814   -3.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2568   -1.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4534   -1.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139   -2.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780   -3.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8894   -1.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645   -1.3635    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3349   -2.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4068   -1.8614    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4230   -2.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  1  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  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 14 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 26  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 29 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 27 36  1  0  0  0  0
 36 37  1  1  0  0  0
 37 38  1  0  0  0  0
 25 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  2  0  0  0  0
 23 43  1  0  0  0  0
 43 44  1  0  0  0  0
 13 44  1  0  0  0  0
 44 45  1  1  0  0  0
 44 46  1  0  0  0  0
  5 46  1  0  0  0  0
 46 47  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0182670

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@H]1OC[C@@H](O[C@H]1OC1=CC(OC)=C2C(O[C@]3([C@@H]([C@H]([C@@H](O)[C@@]23O)C(=O)OC)C2=CC=CC=C2)C2=CC=C(OC)C=C2)=C1)[C@@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25+,26+,27+,29+,31+,32+,33-,34-/m0/s1

> <INCHI_KEY>
GVKXFVCXBFGBCD-JRPGFILLSA-N

> <FORMULA>
C34H38O13

> <MOLECULAR_WEIGHT>
654.665

> <EXACT_MASS>
654.231241284

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
65.67593079603076

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (2S,3R,4R,5S,6R)-10-{[(2S,3R,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy}-2,3-dihydroxy-12-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-triene-4-carboxylate

> <JCHEM_LOGP>
1.9726508686666664

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.259540235419436

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.606341685873799

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974208566734979

> <JCHEM_POLAR_SURFACE_AREA>
171.83

> <JCHEM_REFRACTIVITY>
161.9767

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
methyl (2S,3R,4R,5S,6R)-10-{[(2S,3R,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy}-2,3-dihydroxy-12-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-triene-4-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       0.029  -5.116   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.484  -4.611   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.774  -3.099   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       0.610  -2.091   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.229  -2.594   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.676  -1.121   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.413  -0.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.018  -0.894   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.245  -0.014   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.114   1.521   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.280   2.175   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.543   1.294   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.216  -1.090   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.711   0.365   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.199   0.655   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.694   2.110   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.702   3.275   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.197   4.730   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.205   5.894   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.214   2.984   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.719   1.529   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.444  -0.161   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.707  -1.041   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.207  -0.691   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.260  -1.815   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      11.759  -1.465   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      12.812  -2.589   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      14.312  -2.239   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      15.365  -3.363   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      16.864  -3.014   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      17.311  -1.540   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      17.917  -4.137   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      19.417  -3.788   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      14.918  -4.837   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      13.418  -5.187   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      12.365  -4.063   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      10.866  -4.413   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      10.419  -5.886   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       9.813  -3.289   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.313  -3.639   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       7.866  -5.112   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       8.919  -6.236   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       7.260  -2.515   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       5.720  -2.545   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       6.225  -4.000   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       4.493  -3.475   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       4.523  -5.014   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   46                                                  
CONECT    6    5    7   13                                                  
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    7                                                       
CONECT   13    6   14   22   44                                             
CONECT   14   13   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21                                                       
CONECT   21   20   14                                                       
CONECT   22   13   23                                                       
CONECT   23   22   24   43                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   39                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   36                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   34                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32                                                            
CONECT   34   29   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   27   37                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39   25   40                                                       
CONECT   40   39   41   43                                                  
CONECT   41   40   42                                                       
CONECT   42   41                                                            
CONECT   43   40   23   44                                                  
CONECT   44   43   13   45   46                                             
CONECT   45   44                                                            
CONECT   46   44    5   47                                                  
CONECT   47   46                                                            
MASTER        0    0    0    0    0    0    0    0   47    0  104    0
END

View in JSmol

Synonyms

Value	Source
5'''-episilvestrol	ChEBI

Chemical Formula

C₃₄H₃₈O₁₃

Average Mass

654.6650 Da

Monoisotopic Mass

654.23124 Da

IUPAC Name

methyl (2S,3R,4R,5S,6R)-10-{[(2S,3R,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy}-2,3-dihydroxy-12-methoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-triene-4-carboxylate

Traditional Name

CAS Registry Number

Not Available

SMILES

CO[C@@H]1OC[C@@H](O[C@H]1OC1=CC(OC)=C2C(O[C@]3([C@@H]([C@H]([C@@H](O)[C@@]23O)C(=O)OC)C2=CC=CC=C2)C2=CC=C(OC)C=C2)=C1)[C@@H](O)CO

InChI Identifier

InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25+,26+,27+,29+,31+,32+,33-,34-/m0/s1

InChI Key

GVKXFVCXBFGBCD-JRPGFILLSA-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
Aglaia foveolata	LOTUS Database	35616633
Aglaia silvestris	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavaglines. These are heterocyclic compounds with a structure characterized by a cyclopenta[b]benzofuran skeleton.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzofurans

Sub Class

Flavaglines

Direct Parent

Flavaglines

Alternative Parents

Substituents

Flavagline skeleton
Stilbene
Coumaran
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Alkyl aryl ether
Beta-hydroxy acid
Para-dioxane
Monocyclic benzene moiety
Benzenoid
Hydroxy acid
Methyl ester
Cyclic alcohol
Tertiary alcohol
Secondary alcohol
Carboxylic acid ester
Ether
Acetal
Carboxylic acid derivative
Oxacycle
Monocarboxylic acid or derivatives
Alcohol
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Primary alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organic heterotricyclic compound (CHEBI:66485 )
ether (CHEBI:66485 )
methyl ester (CHEBI:66485 )
dioxanes (CHEBI:66485 )

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	1.97	ChemAxon
pKa (Strongest Acidic)	11.61	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	171.83 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	161.98 m³·mol⁻¹	ChemAxon
Polarizability	65.68 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

9642768

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11467934

PDB ID

Not Available

ChEBI ID

66485

Good Scents ID

Not Available

References

General References

Pan L, Kardono LB, Riswan S, Chai H, Carcache de Blanco EJ, Pannell CM, Soejarto DD, McCloud TG, Newman DJ, Kinghorn AD: Isolation and characterization of minor analogues of silvestrol and other constituents from a large-scale re-collection of Aglaia foveolata. J Nat Prod. 2010 Nov 29;73(11):1873-8. doi: 10.1021/np100503q. Epub 2010 Oct 12. [PubMed:20939540 ]
LOTUS database [Link]

Showing NP-Card for epi-silvestrol (NP0182670)

MOL for NP0182670 (epi-silvestrol)

3D MOL for NP0182670 (epi-silvestrol)

3D SDF for NP0182670 (epi-silvestrol)

3D-SDF for NP0182670 (epi-silvestrol)

PDB for NP0182670 (epi-silvestrol)

3D PDB for NP0182670 (epi-silvestrol)

SMILES for NP0182670 (epi-silvestrol)

INCHI for NP0182670 (epi-silvestrol)

Structure for NP0182670 (epi-silvestrol)

3D Structure for NP0182670 (epi-silvestrol)