NP-MRD: Showing NP-Card for 4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol (NP0221538)

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Record Information

Version

1.0

Created at

2022-09-05 23:08:57 UTC

Updated at

2022-09-05 23:08:57 UTC

NP-MRD ID

NP0221538

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol

Description

1',3,6',8-Tetramethyl-4,5'-divinyl-9',10'-dihydro-1,3'-biphenanthrene-2,2',7,7'-tetrol belongs to the class of organic compounds known as phenanthrols. Phenanthrols are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached. 4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol is found in Juncus acutus. Based on a literature review very few articles have been published on 1',3,6',8-Tetramethyl-4,5'-divinyl-9',10'-dihydro-1,3'-biphenanthrene-2,2',7,7'-tetrol.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062201082D          

 40 45  0  0  0  0            999 V2000
    3.6829   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -4.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0296   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -6.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -7.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -6.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -6.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -7.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -7.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -8.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -9.0158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -8.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -7.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.8711    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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 19 22  2  0  0  0  0
 22 23  1  0  0  0  0
 14 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 26 33  1  0  0  0  0
 22 33  1  0  0  0  0
 13 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 11 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
  9 40  1  0  0  0  0
M  END


  Mrv1652309062201082D          

 40 45  0  0  0  0            999 V2000
    3.6829   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -4.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0296   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -6.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954   -6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -7.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -6.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -6.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -7.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -7.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -8.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -9.0158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -8.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -7.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -1.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.8711    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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 19 22  2  0  0  0  0
 22 23  1  0  0  0  0
 14 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 26 33  1  0  0  0  0
 22 33  1  0  0  0  0
 13 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 11 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
  9 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0221538

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C(C=C)C2=C(CCC3=C(C)C(O)=C(C=C23)C2=C3C=CC4=C(C)C(O)=CC=C4C3=C(C=C)C(C)=C2O)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C36H32O4/c1-7-22-17(3)31(38)15-21-9-10-25-20(6)35(39)29(16-28(25)32(21)22)34-27-12-11-24-18(4)30(37)14-13-26(24)33(27)23(8-2)19(5)36(34)40/h7-8,11-16,37-40H,1-2,9-10H2,3-6H3

> <INCHI_KEY>
PJKMCGOFBBHUDB-UHFFFAOYSA-N

> <FORMULA>
C36H32O4

> <MOLECULAR_WEIGHT>
528.648

> <EXACT_MASS>
528.23005951

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
61.043996817579945

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol

> <JCHEM_LOGP>
10.122595336

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.631171211377945

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.974861869409148

> <JCHEM_PKA_STRONGEST_BASIC>
-5.481017839400274

> <JCHEM_POLAR_SURFACE_AREA>
80.92

> <JCHEM_REFRACTIVITY>
164.972

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       6.875  -8.827   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.415  -8.827   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.185  -7.494   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.725  -7.494   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.495  -8.827   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.495  -6.160   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      13.035  -6.160   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.725  -4.826   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.185  -4.826   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.415  -6.160   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.875  -6.160   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.105  -7.494   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.565  -7.494   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.795  -8.827   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.255  -8.827   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.485  -7.494   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.485 -10.161   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.055 -10.161   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.255 -11.495   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.485 -12.828   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.255 -14.162   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.795 -11.495   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.565 -10.161   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.105 -10.161   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.875 -11.495   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.105 -12.828   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.875 -14.162   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.415 -14.162   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.105 -15.496   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.875 -16.829   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.565 -15.496   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.795 -14.162   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.565 -12.828   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.795  -6.160   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.255  -6.160   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       4.565  -4.826   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       3.795  -3.493   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.105  -4.826   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.875  -3.493   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.415  -3.493   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   40                                                  
CONECT   10    9    3   11                                                  
CONECT   11   10   12   38                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   34                                                  
CONECT   14   13   15   23                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   23   33                                                  
CONECT   23   22   14   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   33                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   26   22                                                  
CONECT   34   13   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   11   39                                                  
CONECT   39   38   40                                                       
CONECT   40   39    9                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₃₂O₄

Average Mass

528.6480 Da

Monoisotopic Mass

528.23006 Da

IUPAC Name

4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol

Traditional Name

4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol

CAS Registry Number

Not Available

SMILES

CC1=C(C=C)C2=C(CCC3=C(C)C(O)=C(C=C23)C2=C3C=CC4=C(C)C(O)=CC=C4C3=C(C=C)C(C)=C2O)C=C1O

InChI Identifier

InChI=1S/C36H32O4/c1-7-22-17(3)31(38)15-21-9-10-25-20(6)35(39)29(16-28(25)32(21)22)34-27-12-11-24-18(4)30(37)14-13-26(24)33(27)23(8-2)19(5)36(34)40/h7-8,11-16,37-40H,1-2,9-10H2,3-6H3

InChI Key

PJKMCGOFBBHUDB-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Juncus acutus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenanthrols. Phenanthrols are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenanthrenes and derivatives

Sub Class

Phenanthrols

Direct Parent

Phenanthrols

Alternative Parents

Substituents

Phenanthrol
Hydrophenanthrene
2-naphthol
Naphthalene
Styrene
1-hydroxy-2-unsubstituted benzenoid
Phenol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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	10.12	ChemAxon
pKa (Strongest Acidic)	8.97	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	80.92 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	164.97 m³·mol⁻¹	ChemAxon
Polarizability	61.04 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	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

9224871

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11049704

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol (NP0221538)

MOL for NP0221538 (4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol)

3D MOL for NP0221538 (4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol)

3D SDF for NP0221538 (4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol)

3D-SDF for NP0221538 (4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol)

PDB for NP0221538 (4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol)

3D PDB for NP0221538 (4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol)

SMILES for NP0221538 (4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol)

INCHI for NP0221538 (4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol)

Structure for NP0221538 (4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol)

3D Structure for NP0221538 (4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol)