NP-MRD: Showing NP-Card for 9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one (NP0187946)

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Record Information

Version

2.0

Created at

2022-09-04 04:11:27 UTC

Updated at

2022-09-04 04:11:27 UTC

NP-MRD ID

NP0187946

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

Description

9-[(2R)-2-hydroxy-3-{[(2R)-3-methoxy-3-methyl-1-({7-oxo-7H-furo[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methylbutoxy]-7H-furo[3,2-g]chromen-7-one belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. 9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one is found in Heracleum candicans. Based on a literature review very few articles have been published on 9-[(2R)-2-hydroxy-3-{[(2R)-3-methoxy-3-methyl-1-({7-oxo-7H-furo[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methylbutoxy]-7H-furo[3,2-g]chromen-7-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042206112D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309042206112D          

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    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    1.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1274    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   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  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 22  1  0  0  0  0
 16 22  2  0  0  0  0
  6 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 32 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 31 44  1  0  0  0  0
 38 44  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0187946

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(C)(C)[C@@H](COC1=C2OC=CC2=CC2=C1OC(=O)C=C2)OC(C)(C)[C@H](O)COC1=C2OC=CC2=CC2=C1OC(=O)C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C33H32O11/c1-32(2,22(34)16-40-30-26-20(10-12-38-26)14-18-6-8-24(35)42-28(18)30)44-23(33(3,4)37-5)17-41-31-27-21(11-13-39-27)15-19-7-9-25(36)43-29(19)31/h6-15,22-23,34H,16-17H2,1-5H3/t22-,23-/m1/s1

> <INCHI_KEY>
UATMYWAJFJXYFT-DHIUTWEWSA-N

> <FORMULA>
C33H32O11

> <MOLECULAR_WEIGHT>
604.608

> <EXACT_MASS>
604.19446185

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
60.085951372306916

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-[(2R)-2-{[(3R)-3-hydroxy-2-methyl-4-({7-oxo-7H-furo[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]-7H-furo[3,2-g]chromen-7-one

> <JCHEM_LOGP>
4.1278830546666665

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.225028328107939

> <JCHEM_PKA_STRONGEST_BASIC>
-2.602286159381148

> <JCHEM_POLAR_SURFACE_AREA>
136.03

> <JCHEM_REFRACTIVITY>
157.5705

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
9-[(2R)-2-{[(3R)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      11.646   8.676   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.106   8.676   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       9.336  10.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669  10.780   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.566  11.344   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002   9.240   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668  10.010   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.668  11.550   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.335  12.320   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335  13.860   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.479  14.890   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       5.853  16.297   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.321  16.136   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  14.630   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  13.860   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667  12.320   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  10.010   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.667   7.700   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.001  10.010   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       8.002   7.700   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.898   8.264   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.438   5.596   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       4.001   6.930   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       6.799   2.016   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       7.705   0.770   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.799  -0.476   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3    7   23                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   22                                                  
CONECT   10    9   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   10   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   22                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21    9   16                                                  
CONECT   23    6   24                                                       
CONECT   24   23   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   44                                                  
CONECT   32   31   33   36                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   32   37                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39   44                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   31   38                                                  
MASTER        0    0    0    0    0    0    0    0   44    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₃₂O₁₁

Average Mass

604.6080 Da

Monoisotopic Mass

604.19446 Da

IUPAC Name

9-[(2R)-2-{[(3R)-3-hydroxy-2-methyl-4-({7-oxo-7H-furo[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]-7H-furo[3,2-g]chromen-7-one

Traditional Name

9-[(2R)-2-{[(3R)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

CAS Registry Number

Not Available

SMILES

COC(C)(C)[C@@H](COC1=C2OC=CC2=CC2=C1OC(=O)C=C2)OC(C)(C)[C@H](O)COC1=C2OC=CC2=CC2=C1OC(=O)C=C2

InChI Identifier

InChI=1S/C33H32O11/c1-32(2,22(34)16-40-30-26-20(10-12-38-26)14-18-6-8-24(35)42-28(18)30)44-23(33(3,4)37-5)17-41-31-27-21(11-13-39-27)15-19-7-9-25(36)43-29(19)31/h6-15,22-23,34H,16-17H2,1-5H3/t22-,23-/m1/s1

InChI Key

UATMYWAJFJXYFT-DHIUTWEWSA-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
Heracleum candicans	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Sub Class

Furanocoumarins

Direct Parent

Psoralens

Alternative Parents

Substituents

Psoralen
Benzopyran
1-benzopyran
Benzofuran
Alkyl aryl ether
Pyranone
Benzenoid
Pyran
Heteroaromatic compound
Furan
Lactone
Secondary alcohol
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
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	4.13	ChemAxon
pKa (Strongest Acidic)	13.23	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	136.03 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	157.57 m³·mol⁻¹	ChemAxon
Polarizability	60.09 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

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

163191385

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one (NP0187946)

MOL for NP0187946 (9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one)

3D MOL for NP0187946 (9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one)

3D SDF for NP0187946 (9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one)

3D-SDF for NP0187946 (9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one)

PDB for NP0187946 (9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one)

3D PDB for NP0187946 (9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one)

SMILES for NP0187946 (9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one)

INCHI for NP0187946 (9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one)

Structure for NP0187946 (9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one)

3D Structure for NP0187946 (9-[(2r)-2-{[(3r)-3-hydroxy-2-methyl-4-({7-oxofuro[3,2-g]chromen-9-yl}oxy)butan-2-yl]oxy}-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one)