NP-MRD: Showing NP-Card for 1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one (NP0264884)

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Record Information

Version

2.0

Created at

2022-09-08 08:39:51 UTC

Updated at

2022-09-08 08:39:51 UTC

NP-MRD ID

NP0264884

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one

Description

1-[3,5-Bis(2H-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]Trideca-1(13),9,11-trien-13-yl]-2-methylbutan-1-one belongs to the class of organic compounds known as 5-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C5 atom of the flavonoid backbone. 1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one is found in Hypericum chinense. 1-[3,5-Bis(2H-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]Trideca-1(13),9,11-trien-13-yl]-2-methylbutan-1-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251514542D          

 41 47  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1533004251514542D          

 41 47  0  0  0  0            999 V2000
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    1.3246    9.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0391    9.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8676    8.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3525    8.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8942    5.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8942    4.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1797    4.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348    4.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3194    4.1744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8043    4.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3194    5.5093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348    5.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1797    5.6669    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
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7 23  1  0  0  0  0
 15 23  2  0  0  0  0
 21 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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  2  0  0  0  0
 24 32  1  0  0  0  0
 19 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 36 40  1  0  0  0  0
 40 41  2  0  0  0  0
 33 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0264884

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C(=O)C1=C(O)C(C)=C(OC)C2=C1OC1(OC(CC1C2)C1=CC=C2OCOC2=C1)C1=CC=C2OCOC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C32H32O9/c1-5-16(2)28(33)27-29(34)17(3)30(35-4)21-11-20-13-24(18-6-8-22-25(10-18)38-14-36-22)40-32(20,41-31(21)27)19-7-9-23-26(12-19)39-15-37-23/h6-10,12,16,20,24,34H,5,11,13-15H2,1-4H3

> <INCHI_KEY>
QQKWQUVKXGHNEF-UHFFFAOYSA-N

> <FORMULA>
C32H32O9

> <MOLECULAR_WEIGHT>
560.599

> <EXACT_MASS>
560.20463261

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
59.24977039641133

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[3,5-bis(2H-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one

> <ALOGPS_LOGP>
5.00

> <JCHEM_LOGP>
7.293433815

> <ALOGPS_LOGS>
-5.39

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.90433020267695

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.846006354922752

> <JCHEM_PKA_STRONGEST_BASIC>
-4.055574266564393

> <JCHEM_POLAR_SURFACE_AREA>
101.91000000000003

> <JCHEM_REFRACTIVITY>
147.2354

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.29e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[3,5-bis(2H-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0       7.750  20.432   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.980  19.098   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.750  17.765   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.290  17.765   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.980  16.431   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.440  16.431   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       7.750  15.097   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.290  15.097   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.060  16.431   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      10.060  13.764   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.600  13.764   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.290  12.430   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      10.060  11.096   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       9.290   9.763   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.750  12.430   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.980  11.096   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.440  11.096   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.410   9.952   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.003  10.578   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.164  12.110   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.670  12.430   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.440  13.764   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       6.980  13.764   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.765  13.676   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.233  13.515   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.328  14.761   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.955  16.168   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       1.328  17.574   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       2.473  18.605   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       3.806  17.835   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       3.486  16.329   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.391  15.083   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.669   9.808   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.669   8.268   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.335   7.498   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.998   8.268   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -2.463   7.792   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -3.368   9.038   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -2.463  10.284   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -0.998   9.808   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.335  10.578   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   23                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16   23                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   33                                                  
CONECT   20   19   21                                                       
CONECT   21   20   17   22   24                                             
CONECT   22   21   23                                                       
CONECT   23   22    7   15                                                  
CONECT   24   21   25   32                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   31                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   27   32                                                  
CONECT   32   31   24                                                       
CONECT   33   19   34   41                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   40                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   36   41                                                  
CONECT   41   40   33                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₃₂O₉

Average Mass

560.5990 Da

Monoisotopic Mass

560.20463 Da

IUPAC Name

1-[3,5-bis(2H-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one

Traditional Name

1-[3,5-bis(2H-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one

CAS Registry Number

Not Available

SMILES

CCC(C)C(=O)C1=C(O)C(C)=C(OC)C2=C1OC1(OC(CC1C2)C1=CC=C2OCOC2=C1)C1=CC=C2OCOC2=C1

InChI Identifier

InChI=1S/C32H32O9/c1-5-16(2)28(33)27-29(34)17(3)30(35-4)21-11-20-13-24(18-6-8-22-25(10-18)38-14-36-22)40-32(20,41-31(21)27)19-7-9-23-26(12-19)39-15-37-23/h6-10,12,16,20,24,34H,5,11,13-15H2,1-4H3

InChI Key

QQKWQUVKXGHNEF-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
Hypericum chinense	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 5-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C5 atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

5-O-methylated flavonoids

Alternative Parents

Substituents

5-methoxyflavonoid-skeleton
7-hydroxyflavonoid
Hydroxyflavonoid
Flavan
Butyrophenone
Chromane
Benzopyran
1-benzopyran
Benzodioxole
Furopyran
Aryl alkyl ketone
Aryl ketone
Anisole
Alkyl aryl ether
Ketal
Pyran
Benzenoid
Oxolane
Vinylogous acid
Furan
Ketone
Oxacycle
Ether
Organoheterocyclic compound
Acetal
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Aldehyde
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	ALOGPS
logP	7.29	ChemAxon
logS	-5.4	ALOGPS
pKa (Strongest Acidic)	9.85	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	101.91 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	147.24 m³·mol⁻¹	ChemAxon
Polarizability	59.25 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	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

75576372

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one (NP0264884)

MOL for NP0264884 (1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

3D MOL for NP0264884 (1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

3D SDF for NP0264884 (1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

3D-SDF for NP0264884 (1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

PDB for NP0264884 (1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

3D PDB for NP0264884 (1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

SMILES for NP0264884 (1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

INCHI for NP0264884 (1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

Structure for NP0264884 (1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)

3D Structure for NP0264884 (1-[3,5-bis(2h-1,3-benzodioxol-5-yl)-12-hydroxy-10-methoxy-11-methyl-2,4-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),10,12-trien-13-yl]-2-methylbutan-1-one)