NP-MRD: Showing NP-Card for 7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one (NP0307412)

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Record Information

Version

2.0

Created at

2022-09-11 00:31:01 UTC

Updated at

2022-09-11 00:31:01 UTC

NP-MRD ID

NP0307412

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one

Description

3-{2-[5-(Butan-2-yl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl}-7,8-dihydroxy-7-methyl-6,7,8,8a-tetrahydro-1H-isochromen-6-one belongs to the class of organic compounds known as azaphilones. These are a structurally variable family of fungal polyketide metabolites possessing a highly oxygenated pyranoquinone bicyclic core, usually known as isochromene, and a quaternary carbon center. 7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one is found in Penicillium sclerotiorum. Based on a literature review very few articles have been published on 3-{2-[5-(butan-2-yl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl}-7,8-dihydroxy-7-methyl-6,7,8,8a-tetrahydro-1H-isochromen-6-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112202312D          

 28 30  0  0  0  0            999 V2000
   -1.9858   -2.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2325   -2.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741   -1.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690   -1.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7027   -0.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6941    0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5154    0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8572    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9068    0.6725    0.0000 O   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
   -0.7060    0.3974    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
    0.7145   -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
    2.1434   -0.4125    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
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3848   -1.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8545   -2.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    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
    1.4289   -1.6500    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
  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
  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
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  5 11  1  0  0  0  0
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 13 11  1  4  0  0  0
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 17 26  1  0  0  0  0
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 15 28  1  0  0  0  0
M  END

     RDKit          3D

 60 62  0  0  0  0  0  0  0  0999 V2000
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   -4.6939    1.9793   -0.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6422    1.6298    0.0994 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.7598   -0.9168   -1.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6221   -0.4453   -0.7652 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6696    0.1082    2.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
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 27 59  1  0
 27 60  1  0
M  END


  Mrv1652309112202312D          

 28 30  0  0  0  0            999 V2000
   -1.9858   -2.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2325   -2.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741   -1.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690   -1.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -0.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7027   -0.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6941    0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5154    0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8572    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9068    0.6725    0.0000 O   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
   -0.7060    0.3974    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
    0.7145   -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
    2.1434   -0.4125    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
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    4.2868   -0.0000    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
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 27 28  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0307412

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C1OC(C)(C)OC1(C)C=CC1=CC2=CC(=O)C(C)(O)C(O)C2CO1

> <INCHI_IDENTIFIER>
InChI=1S/C22H32O6/c1-7-13(2)19-21(5,28-20(3,4)27-19)9-8-15-10-14-11-17(23)22(6,25)18(24)16(14)12-26-15/h8-11,13,16,18-19,24-25H,7,12H2,1-6H3

> <INCHI_KEY>
IWEMHAGFVAXHLO-UHFFFAOYSA-N

> <FORMULA>
C22H32O6

> <MOLECULAR_WEIGHT>
392.492

> <EXACT_MASS>
392.21988875

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
43.756584903153374

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-{2-[5-(butan-2-yl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl}-7,8-dihydroxy-7-methyl-6,7,8,8a-tetrahydro-1H-isochromen-6-one

> <JCHEM_LOGP>
2.0215493229999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.54455988681384

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.198860385035978

> <JCHEM_PKA_STRONGEST_BASIC>
-3.471352241037766

> <JCHEM_POLAR_SURFACE_AREA>
85.22000000000001

> <JCHEM_REFRACTIVITY>
109.10839999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1H-isochromen-6-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      -3.707  -5.309   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.167  -3.839   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.125  -2.706   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.622  -3.042   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.586  -1.236   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -5.045  -0.745   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -5.029   0.795   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.562   0.650   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.333   2.304   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -3.559   1.255   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.318   0.742   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.185  -2.043   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       7.195  -3.757   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7   11                                                       
CONECT   11   10    5   12   13                                             
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   28                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   26                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   17   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27   15                                                       
MASTER        0    0    0    0    0    0    0    0   28    0   60    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₃₂O₆

Average Mass

392.4920 Da

Monoisotopic Mass

392.21989 Da

IUPAC Name

3-{2-[5-(butan-2-yl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl}-7,8-dihydroxy-7-methyl-6,7,8,8a-tetrahydro-1H-isochromen-6-one

Traditional Name

7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1H-isochromen-6-one

CAS Registry Number

Not Available

SMILES

CCC(C)C1OC(C)(C)OC1(C)C=CC1=CC2=CC(=O)C(C)(O)C(O)C2CO1

InChI Identifier

InChI=1S/C22H32O6/c1-7-13(2)19-21(5,28-20(3,4)27-19)9-8-15-10-14-11-17(23)22(6,25)18(24)16(14)12-26-15/h8-11,13,16,18-19,24-25H,7,12H2,1-6H3

InChI Key

IWEMHAGFVAXHLO-UHFFFAOYSA-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
Penicillium sclerotiorum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as azaphilones. These are a structurally variable family of fungal polyketide metabolites possessing a highly oxygenated pyranoquinone bicyclic core, usually known as isochromene, and a quaternary carbon center.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Azaphilones

Sub Class

Not Available

Direct Parent

Azaphilones

Alternative Parents

Substituents

Azaphilone
Ketal
Cyclohexenone
Acyloin
Meta-dioxolane
Tertiary alcohol
1,2-diol
Ketone
Cyclic ketone
Secondary alcohol
Acetal
Oxacycle
Carbonyl group
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	2.02	ChemAxon
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	85.22 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	109.11 m³·mol⁻¹	ChemAxon
Polarizability	43.76 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

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

75239383

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one (NP0307412)

MOL for NP0307412 (7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one)

3D MOL for NP0307412 (7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one)

3D SDF for NP0307412 (7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one)

3D-SDF for NP0307412 (7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one)

PDB for NP0307412 (7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one)

3D PDB for NP0307412 (7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one)

SMILES for NP0307412 (7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one)

INCHI for NP0307412 (7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one)

Structure for NP0307412 (7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one)

3D Structure for NP0307412 (7,8-dihydroxy-7-methyl-3-{2-[2,2,4-trimethyl-5-(sec-butyl)-1,3-dioxolan-4-yl]ethenyl}-8,8a-dihydro-1h-isochromen-6-one)