NP-MRD: Showing NP-Card for Lophiroflavan A (NP0056068)

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Record Information

Version

2.0

Created at

2022-04-28 01:57:06 UTC

Updated at

2022-04-28 01:57:06 UTC

NP-MRD ID

NP0056068

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lophiroflavan A

Description

(1R,2S,3S,11R,13R,21S)-6-[(2S,3R,4S,5R)-4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-3-(2,4-dihydroxyphenyl)-11,21-bis(4-hydroxyphenyl)-10,12,20-trioxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]Henicosa-4(9),5,7,14(19),15,17-hexaene-7,17-diol belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Lophiroflavan A is found in Lophira alata . Based on a literature review very few articles have been published on (1R,2S,3S,11R,13R,21S)-6-[(2S,3R,4S,5R)-4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-3-(2,4-dihydroxyphenyl)-11,21-bis(4-hydroxyphenyl)-10,12,20-trioxapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁴,¹⁹]Henicosa-4(9),5,7,14(19),15,17-hexaene-7,17-diol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282203572D          

 75 86  0  0  1  0            999 V2000
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M  END

     RDKit          3D

123134  0  0  0  0  0  0  0  0999 V2000
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M  END


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M  END
> <DATABASE_ID>
NP0056068

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC=C(C[C@H]2[C@H](O[C@H]([C@H]2C(=O)C2=C(O)C=C(O)C=C2)C2=CC=C(O)C=C2)C2=CC3=C(O[C@@]4(O[C@@H]5[C@H]([C@@H]4[C@H]3C3=C(O)C=C(O)C=C3)[C@H](OC3=C5C=CC(O)=C3)C3=CC=C(O)C=C3)C3=CC=C(O)C=C3)C=C2O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C60H48O15/c61-33-9-1-29(2-10-33)23-45-52(55(71)41-21-18-38(66)25-47(41)69)56(30-3-11-34(62)12-4-30)73-58(45)43-27-44-50(28-48(43)70)74-60(32-7-15-36(64)16-8-32)54(51(44)40-20-17-37(65)24-46(40)68)53-57(31-5-13-35(63)14-6-31)72-49-26-39(67)19-22-42(49)59(53)75-60/h1-22,24-28,45,51-54,56-59,61-70H,23H2/t45-,51+,52-,53-,54+,56+,57-,58-,59+,60-/m1/s1

> <INCHI_KEY>
KWDUYEPXFZPAEU-IZLWIONISA-N

> <FORMULA>
C60H48O15

> <MOLECULAR_WEIGHT>
1009.029

> <EXACT_MASS>
1008.299320846

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
123

> <JCHEM_AVERAGE_POLARIZABILITY>
103.5977393774926

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,3S,11R,13R,21S)-6-[(2S,3R,4S,5R)-4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-3-(2,4-dihydroxyphenyl)-11,21-bis(4-hydroxyphenyl)-10,12,20-trioxapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{14,19}]henicosa-4(9),5,7,14(19),15,17-hexaene-7,17-diol

> <ALOGPS_LOGP>
6.21

> <JCHEM_LOGP>
11.451028494666666

> <ALOGPS_LOGS>
-5.53

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
12

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.65119539108263

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.779811618912737

> <JCHEM_PKA_STRONGEST_BASIC>
-4.911605168500363

> <JCHEM_POLAR_SURFACE_AREA>
256.28999999999996

> <JCHEM_REFRACTIVITY>
273.3816

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.00e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,3S,11R,13R,21S)-6-[(2S,3R,4S,5R)-4-(2,4-dihydroxybenzoyl)-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]oxolan-2-yl]-3-(2,4-dihydroxyphenyl)-11,21-bis(4-hydroxyphenyl)-10,12,20-trioxapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{14,19}]henicosa-4(9),5,7,14(19),15,17-hexaene-7,17-diol

> <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      12.080  -0.045   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.721  -0.769   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.414   0.046   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.467   1.585   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.826   2.309   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.132   1.494   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      13.491   2.218   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       8.160   2.400   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       6.801   1.676   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.748   0.137   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.055  -0.678   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002  -2.217   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.500  -3.106   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.591  -4.480   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.897  -5.295   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.256  -4.571   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.309  -3.032   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.559  -7.164   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       5.119  -2.425   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.268  -0.289   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.406   0.987   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.353   2.202   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.870   0.879   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.196  -0.506   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.058  -1.782   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.594  -1.673   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.456  -2.949   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.993  -2.841   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.855  -4.117   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.181  -5.502   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.645  -5.610   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.782  -4.334   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       8.043  -6.778   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       0.660  -0.615   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.202   0.661   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.472   2.046   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.008   2.155   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -1.739   0.553   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       6.692   3.212   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.307   3.886   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.199   5.422   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       6.475   6.285   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       7.859   5.611   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       7.968   4.074   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       6.366   7.821   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      13.386  -0.860   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      13.495  -2.396   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      14.990  -2.768   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      15.805  -1.461   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      14.814  -0.282   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      17.341  -1.352   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      18.015   0.032   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      19.551   0.141   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      20.413  -1.135   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      19.739  -2.520   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      18.203  -2.628   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      21.949  -1.026   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      15.568  -4.195   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0      14.621  -5.409   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0      17.093  -4.408   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      17.671  -5.836   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      19.196  -6.049   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      20.143  -4.834   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      19.565  -3.407   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      18.040  -3.194   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0      21.668  -5.047   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0      16.724  -7.050   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0      12.316  -3.387   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      12.585  -4.903   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      14.032  -5.429   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      14.301  -6.945   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      13.122  -7.936   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      11.674  -7.411   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      11.406  -5.894   0.000  0.00  0.00           C+0
HETATM   75  O   UNK     0      13.391  -9.453   0.000  0.00  0.00           O+0
CONECT    1    2    6   46                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6                                                            
CONECT    8    4    9                                                       
CONECT    9    8   10   22   39                                             
CONECT   10    9   11   20                                                  
CONECT   11   10    3   12                                                  
CONECT   12   11   13   17                                                  
CONECT   13   12   14   19                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16   12                                                       
CONECT   18   15                                                            
CONECT   19   13                                                            
CONECT   20   10   21   26                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21    9                                                       
CONECT   23   21   24   37                                                  
CONECT   24   23   25   34                                                  
CONECT   25   24   26                                                       
CONECT   26   25   20   27                                                  
CONECT   27   26   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31   27                                                       
CONECT   33   30                                                            
CONECT   34   24   35                                                       
CONECT   35   34   36   38                                                  
CONECT   36   35   37                                                       
CONECT   37   36   23                                                       
CONECT   38   35                                                            
CONECT   39    9   40   44                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   45                                                  
CONECT   43   42   44                                                       
CONECT   44   43   39                                                       
CONECT   45   42                                                            
CONECT   46    1   47   50                                                  
CONECT   47   46   48   68                                                  
CONECT   48   47   49   58                                                  
CONECT   49   48   50   51                                                  
CONECT   50   49   46                                                       
CONECT   51   49   52   56                                                  
CONECT   52   51   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55   57                                                  
CONECT   55   54   56                                                       
CONECT   56   55   51                                                       
CONECT   57   54                                                            
CONECT   58   48   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58   61   65                                                  
CONECT   61   60   62   67                                                  
CONECT   62   61   63                                                       
CONECT   63   62   64   66                                                  
CONECT   64   63   65                                                       
CONECT   65   64   60                                                       
CONECT   66   63                                                            
CONECT   67   61                                                            
CONECT   68   47   69                                                       
CONECT   69   68   70   74                                                  
CONECT   70   69   71                                                       
CONECT   71   70   72                                                       
CONECT   72   71   73   75                                                  
CONECT   73   72   74                                                       
CONECT   74   73   69                                                       
CONECT   75   72                                                            
MASTER        0    0    0    0    0    0    0    0   75    0  172    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆₀H₄₈O₁₅

Average Mass

1009.0290 Da

Monoisotopic Mass

1008.29932 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

OC1=CC=C(C[C@H]2[C@H](O[C@H]([C@H]2C(=O)C2=C(O)C=C(O)C=C2)C2=CC=C(O)C=C2)C2=CC3=C(O[C@@]4(O[C@@H]5[C@H]([C@@H]4[C@H]3C3=C(O)C=C(O)C=C3)[C@H](OC3=C5C=CC(O)=C3)C3=CC=C(O)C=C3)C3=CC=C(O)C=C3)C=C2O)C=C1

InChI Identifier

InChI=1S/C60H48O15/c61-33-9-1-29(2-10-33)23-45-52(55(71)41-21-18-38(66)25-47(41)69)56(30-3-11-34(62)12-4-30)73-58(45)43-27-44-50(28-48(43)70)74-60(32-7-15-36(64)16-8-32)54(51(44)40-20-17-37(65)24-46(40)68)53-57(31-5-13-35(63)14-6-31)72-49-26-39(67)19-22-42(49)59(53)75-60/h1-22,24-28,45,51-54,56-59,61-70H,23H2/t45-,51+,52-,53-,54+,56+,57-,58-,59+,60-/m1/s1

InChI Key

KWDUYEPXFZPAEU-IZLWIONISA-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
Lophira alata	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Biflavonoids and polyflavonoids

Direct Parent

Biflavonoids and polyflavonoids

Alternative Parents

Substituents

Bi- and polyflavonoid skeleton
Flavonoid c-glycoside
Prenylated neoflavonoid
6-prenylated flavan
Furanoid lignan
9,9p-epoxylignan
7,9p-epoxylignan
7,7p-epoxylignan
Tetrahydrofuran lignan
Linear 1,7-diphenylheptane skeleton
Furanoflavonoid or dihydroflavonoid
Dibenzylbutane lignan skeleton
Hydroxyflavonoid
7-hydroxyflavonoid
4'-hydroxyflavonoid
Neoflavan
Flavan
Alkyl-phenylketone
1-benzopyran
Benzopyran
Chromane
Phenylketone
Furopyran
Aryl alkyl ketone
Aryl ketone
Resorcinol
Benzoyl
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Ketal
Phenol
Alkyl aryl ether
Benzenoid
Pyran
Monocyclic benzene moiety
Vinylogous acid
Tetrahydrofuran
Furan
Ketone
Oxacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Acetal
Organic oxygen compound
Organic oxide
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	6.21	ALOGPS
logP	11.45	ChemAxon
logS	-5.5	ALOGPS
pKa (Strongest Acidic)	7.78	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	256.29 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	273.38 m³·mol⁻¹	ChemAxon
Polarizability	103.6 Å³	ChemAxon
Number of Rings	12	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162970840

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Lophiroflavan A (NP0056068)

MOL for NP0056068 (Lophiroflavan A)

3D MOL for NP0056068 (Lophiroflavan A)

3D SDF for NP0056068 (Lophiroflavan A)

3D-SDF for NP0056068 (Lophiroflavan A)

PDB for NP0056068 (Lophiroflavan A)

3D PDB for NP0056068 (Lophiroflavan A)

SMILES for NP0056068 (Lophiroflavan A)

INCHI for NP0056068 (Lophiroflavan A)

Structure for NP0056068 (Lophiroflavan A)

3D Structure for NP0056068 (Lophiroflavan A)