NP-MRD: Showing NP-Card for 8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one (NP0244432)

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Record Information

Version

2.0

Created at

2022-09-07 05:13:53 UTC

Updated at

2022-09-07 05:13:53 UTC

NP-MRD ID

NP0244432

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one

Description

Garcilivin B belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system. Garcilivin B is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Garcilivin B has been detected, but not quantified in, fruits. 8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one is found in Garcinia livingstonei. This could make garcilivin b a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 05061310452D          

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M  END

     RDKit          3D

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M  END


  Mrv0541 05061310452D          

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    3.8323    3.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0502    1.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9744    5.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0444    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889    4.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9744    3.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    5.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8569   -0.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1178    3.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050    1.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6353    1.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2377    0.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889    3.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8835    3.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2037   -1.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8323    2.5777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3324    1.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9744    5.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9744    2.5777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    5.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1391   -0.8190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    3.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926    1.5067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3532    2.7707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  8  7  2  0  0  0  0
 10  9  2  0  0  0  0
 12 11  2  0  0  0  0
 16  1  1  0  0  0  0
 16  2  1  0  0  0  0
 16 13  2  0  0  0  0
 17 11  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19  7  1  0  0  0  0
 19 18  1  0  0  0  0
 20  5  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23  6  2  0  0  0  0
 24 10  1  0  0  0  0
 25 14  1  0  0  0  0
 26 22  2  0  0  0  0
 27 25  2  0  0  0  0
 28 17  1  0  0  0  0
 29 20  1  0  0  0  0
 29 27  1  0  0  0  0
 30 21  1  0  0  0  0
 30 26  1  0  0  0  0
 31 20  2  0  0  0  0
 31 23  1  0  0  0  0
 32 21  2  0  0  0  0
 33 19  2  0  0  0  0
 33 32  1  0  0  0  0
 34 24  2  0  0  0  0
 34 26  1  0  0  0  0
 35 27  1  0  0  0  0
 35 28  2  0  0  0  0
 36  3  1  0  0  0  0
 36 12  1  0  0  0  0
 36 15  1  0  0  0  0
 37 22  1  0  0  0  0
 38 23  1  0  0  0  0
 39 24  1  0  0  0  0
 40 25  1  0  0  0  0
 41 28  1  0  0  0  0
 42 29  2  0  0  0  0
 43 30  2  0  0  0  0
 44 31  1  0  0  0  0
 44 35  1  0  0  0  0
 45 32  1  0  0  0  0
 45 34  1  0  0  0  0
 46 33  1  0  0  0  0
 46 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0244432

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CC1CC(C)(OC2=C1C=CC1=C2OC2=C(O)C=CC(O)=C2C1=O)\C=C\C1=CC(O)=C2C(=O)C3=C(OC2=C1O)C(O)=CC=C3

> <INCHI_IDENTIFIER>
InChI=1S/C36H28O10/c1-16(2)13-18-15-36(3,46-33-19(18)7-8-21-30(43)26-22(37)9-10-24(39)34(26)45-32(21)33)12-11-17-14-25(40)27-29(42)20-5-4-6-23(38)31(20)44-35(27)28(17)41/h4-14,18,37-41H,15H2,1-3H3/b12-11+

> <INCHI_KEY>
QSAFXQIKPWJREW-VAWYXSNFSA-N

> <FORMULA>
C36H28O10

> <MOLECULAR_WEIGHT>
620.6015

> <EXACT_MASS>
620.168247116

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
64.7238050081324

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(E)-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)ethenyl]-2,3,4,7-tetrahydro-1,12-dioxatetraphen-7-one

> <ALOGPS_LOGP>
5.50

> <JCHEM_LOGP>
7.787322492333333

> <ALOGPS_LOGS>
-5.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.229631060204065

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.649621480900273

> <JCHEM_PKA_STRONGEST_BASIC>
-4.391660087519228

> <JCHEM_POLAR_SURFACE_AREA>
162.97999999999996

> <JCHEM_REFRACTIVITY>
170.2417

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.36e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(E)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -9.119   2.655   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.612   1.743   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.042   7.799   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.487   8.662   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.154   9.432   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.487   7.122   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.096   2.010   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.106   0.831   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.423  -0.727   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.950   0.721   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.848   6.352   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.182   7.122   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -7.076   4.370   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.485   8.662   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.032   6.084   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -7.602   2.923   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.485   7.122   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.559   4.637   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.569   3.457   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.820   8.662   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.589   1.098   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.907  -0.994   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.154   6.352   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.960   1.900   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.819   9.432   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.083   0.186   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.153   8.662   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.819   6.352   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.486   9.432   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.600  -0.082   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.820   7.122   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.063   2.545   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -3.053   3.725   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.444   1.633   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.153   7.122   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.516   6.352   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       0.380  -2.441   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       7.154   4.812   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       2.487   3.347   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       1.819  10.972   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       1.819   4.812   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       4.486  10.972   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -2.126  -1.529   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       4.486   6.352   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      -0.546   2.813   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      -2.526   5.172   0.000  0.00  0.00           O+0
CONECT    1   16                                                            
CONECT    2   16                                                            
CONECT    3   36                                                            
CONECT    4    5    6                                                       
CONECT    5    4   20                                                       
CONECT    6    4   23                                                       
CONECT    7    8   19                                                       
CONECT    8    7   21                                                       
CONECT    9   10   22                                                       
CONECT   10    9   24                                                       
CONECT   11   12   17                                                       
CONECT   12   11   36                                                       
CONECT   13   16   18                                                       
CONECT   14   17   25                                                       
CONECT   15   18   36                                                       
CONECT   16    1    2   13                                                  
CONECT   17   11   14   28                                                  
CONECT   18   13   15   19                                                  
CONECT   19    7   18   33                                                  
CONECT   20    5   29   31                                                  
CONECT   21    8   30   32                                                  
CONECT   22    9   26   37                                                  
CONECT   23    6   31   38                                                  
CONECT   24   10   34   39                                                  
CONECT   25   14   27   40                                                  
CONECT   26   22   30   34                                                  
CONECT   27   25   29   35                                                  
CONECT   28   17   35   41                                                  
CONECT   29   20   27   42                                                  
CONECT   30   21   26   43                                                  
CONECT   31   20   23   44                                                  
CONECT   32   21   33   45                                                  
CONECT   33   19   32   46                                                  
CONECT   34   24   26   45                                                  
CONECT   35   27   28   44                                                  
CONECT   36    3   12   15   46                                             
CONECT   37   22                                                            
CONECT   38   23                                                            
CONECT   39   24                                                            
CONECT   40   25                                                            
CONECT   41   28                                                            
CONECT   42   29                                                            
CONECT   43   30                                                            
CONECT   44   31   35                                                       
CONECT   45   32   34                                                       
CONECT   46   33   36                                                       
MASTER        0    0    0    0    0    0    0    0   46    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₂₈O₁₀

Average Mass

620.6015 Da

Monoisotopic Mass

620.16825 Da

IUPAC Name

8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(E)-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)ethenyl]-2,3,4,7-tetrahydro-1,12-dioxatetraphen-7-one

Traditional Name

8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(E)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one

CAS Registry Number

Not Available

SMILES

CC(C)=CC1CC(C)(OC2=C1C=CC1=C2OC2=C(O)C=CC(O)=C2C1=O)\C=C\C1=CC(O)=C2C(=O)C3=C(OC2=C1O)C(O)=CC=C3

InChI Identifier

InChI=1S/C36H28O10/c1-16(2)13-18-15-36(3,46-33-19(18)7-8-21-30(43)26-22(37)9-10-24(39)34(26)45-32(21)33)12-11-17-14-25(40)27-29(42)20-5-4-6-23(38)31(20)44-35(27)28(17)41/h4-14,18,37-41H,15H2,1-3H3/b12-11+

InChI Key

QSAFXQIKPWJREW-VAWYXSNFSA-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
Garcinia livingstonei	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyranoxanthones. These are organic aromatic compounds containing a pyran or a hydrogenated derivative fused to a xanthone ring system.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Pyranoxanthones

Alternative Parents

Substituents

Pyranoxanthone
Prenylbenzoquinol
Chromone
Styrene
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous acid
Ether
Polyol
Oxacycle
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
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	5.5	ALOGPS
logP	7.79	ChemAxon
logS	-5.4	ALOGPS
pKa (Strongest Acidic)	7.65	ChemAxon
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	162.98 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	170.24 m³·mol⁻¹	ChemAxon
Polarizability	64.72 Å³	ChemAxon
Number of Rings	7	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

HMDB0038937

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB018413

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

131752495

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one (NP0244432)

MOL for NP0244432 (8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

3D MOL for NP0244432 (8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

3D SDF for NP0244432 (8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

3D-SDF for NP0244432 (8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

PDB for NP0244432 (8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

3D PDB for NP0244432 (8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

SMILES for NP0244432 (8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

INCHI for NP0244432 (8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

Structure for NP0244432 (8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)

3D Structure for NP0244432 (8,11-dihydroxy-2-methyl-4-(2-methylprop-1-en-1-yl)-2-[(1e)-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)ethenyl]-3,4-dihydro-1,12-dioxatetraphen-7-one)