NP-MRD: Showing NP-Card for (8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one (NP0237436)

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Record Information

Version

2.0

Created at

2022-09-06 20:34:05 UTC

Updated at

2022-09-06 20:34:05 UTC

NP-MRD ID

NP0237436

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one

Description

(8R)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-4H,8H,9H-furo[2,3-h]chromen-4-one belongs to the class of organic compounds known as 3'-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 3'-position. (8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one is found in Broussonetia kazinoki. Based on a literature review very few articles have been published on (8R)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-4H,8H,9H-furo[2,3-h]chromen-4-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062222342D          

 32 35  0  0  1  0            999 V2000
    0.4259    4.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8605    4.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6851    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4705    3.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5151    2.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9497    1.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5597    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9943   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189   -0.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2535   -0.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -0.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5127   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1228   -2.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082   -2.9545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8636   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390   -1.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6490   -2.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043   -0.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2203   -0.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3140   -1.2781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3745   -0.4553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0758   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8328    0.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0461    0.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2649    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6995    1.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241    1.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3095    1.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7441    2.6812    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
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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M  END

     RDKit          3D

 58 61  0  0  0  0  0  0  0  0999 V2000
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    4.6387    2.3255   -1.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1171    2.0742   -3.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0811   -2.1930    0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1848   -3.1153    0.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6353   -4.3221    1.2508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8566   -2.7169    0.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8892   -3.5252    1.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1623   -4.6681    1.8824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5572   -3.0679    1.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3901   -3.9160    2.0548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3892    0.1131   -0.8116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6247    1.2677   -0.5206 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8943    2.3866   -1.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145    0.7317   -0.6535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2304    1.5577    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7860    0.5896   -2.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   -1.9223    1.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5475   -1.3386    1.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9675    0.4932    1.0423 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9031    2.8136   -1.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5018    2.0846   -2.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9803    1.0195    1.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2592    1.5236   -2.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6620    0.4893   -2.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1616   -0.3203   -2.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4884   -2.9455    2.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 33  1  0
  1 34  1  0
  1 35  1  0
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  3 37  1  0
  3 38  1  0
  7 42  1  0
M  END


  Mrv1652309062222342D          

 32 35  0  0  1  0            999 V2000
    0.4259    4.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8605    4.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6851    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4705    3.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5151    2.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9497    1.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5597    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9943   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189   -0.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2535   -0.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -0.7735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5127   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1228   -2.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082   -2.9545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8636   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0758   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6995    1.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241    1.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3095    1.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7441    2.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0237436

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2C1(C)C)C1=CC(O)=C(O)C(CC=C(C)C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C25H26O7/c1-11(2)6-7-13-8-14(9-16(27)20(13)28)23-22(30)21(29)18-15(26)10-17-19(24(18)32-23)25(4,5)12(3)31-17/h6,8-10,12,26-28,30H,7H2,1-5H3/t12-/m1/s1

> <INCHI_KEY>
SOQFBCLXNNQJDD-GFCCVEGCSA-N

> <FORMULA>
C25H26O7

> <MOLECULAR_WEIGHT>
438.476

> <EXACT_MASS>
438.167853177

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
47.03152161666038

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(8R)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-4H,8H,9H-furo[2,3-h]chromen-4-one

> <JCHEM_LOGP>
5.230197726666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.422942014156025

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.373730597898463

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7646830120783

> <JCHEM_POLAR_SURFACE_AREA>
116.45000000000002

> <JCHEM_REFRACTIVITY>
122.18539999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(8R)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8H-furo[2,3-h]chromen-4-one

> <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       0.795   9.076   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.606   7.767   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.145   7.815   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.878   6.410   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.689   5.101   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.962   3.744   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.773   2.435   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.045   1.078   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.856  -0.231   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       3.395  -0.183   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.207  -1.492   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.746  -1.444   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.557  -2.753   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.829  -4.110   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.290  -4.158   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.562  -5.515   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.479  -2.849   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.939  -2.897   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.211  -4.254   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.128  -1.588   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -0.411  -1.636   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       8.053  -2.386   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       8.166  -0.850   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.475  -0.039   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.740  -0.268   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.154   1.215   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.686   0.855   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.494   1.030   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.306   2.339   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -2.845   2.291   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -0.578   3.696   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -1.389   5.005   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   31                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   28                                                  
CONECT    9    8   10   20                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   17                                                  
CONECT   12   11   13   25                                                  
CONECT   13   12   14   22                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   11   18                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18    9   21                                                  
CONECT   21   20                                                            
CONECT   22   13   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   12   26   27                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28    8   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29    6   32                                                  
CONECT   32   31                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₂₆O₇

Average Mass

438.4760 Da

Monoisotopic Mass

438.16785 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]1OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2C1(C)C)C1=CC(O)=C(O)C(CC=C(C)C)=C1

InChI Identifier

InChI=1S/C25H26O7/c1-11(2)6-7-13-8-14(9-16(27)20(13)28)23-22(30)21(29)18-15(26)10-17-19(24(18)32-23)25(4,5)12(3)31-17/h6,8-10,12,26-28,30H,7H2,1-5H3/t12-/m1/s1

InChI Key

SOQFBCLXNNQJDD-GFCCVEGCSA-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
Broussonetia kazinoki	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3'-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 3'-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

3'-prenylated flavones

Alternative Parents

Substituents

3'-prenylated flavone
3-hydroxyflavone
Hydroxyflavonoid
5-hydroxyflavonoid
4'-hydroxyflavonoid
3-hydroxyflavonoid
3'-hydroxyflavonoid
Chromone
1-benzopyran
Benzopyran
Coumaran
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Phenol
Alkyl aryl ether
Benzenoid
Pyran
Monocyclic benzene moiety
Heteroaromatic compound
Vinylogous acid
Oxacycle
Organoheterocyclic compound
Ether
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

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

162924265

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one (NP0237436)

MOL for NP0237436 ((8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one)

3D MOL for NP0237436 ((8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one)

3D SDF for NP0237436 ((8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one)

3D-SDF for NP0237436 ((8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one)

PDB for NP0237436 ((8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one)

3D PDB for NP0237436 ((8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one)

SMILES for NP0237436 ((8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one)

INCHI for NP0237436 ((8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one)

Structure for NP0237436 ((8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one)

3D Structure for NP0237436 ((8r)-2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-3,5-dihydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-4-one)