NP-MRD: Showing NP-Card for 4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one (NP0310942)

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Record Information

Version

2.0

Created at

2022-09-11 06:36:09 UTC

Updated at

2022-09-11 06:36:09 UTC

NP-MRD ID

NP0310942

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

Description

Sarothralen B belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. 4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one is found in Hypericum japonicum. 4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one was first documented in 1986 (PMID: 17345309). Based on a literature review very few articles have been published on Sarothralen B (PMID: 10746884).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112208362D          

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M  END

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M  END


  Mrv1652309112208362D          

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    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    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
    4.2868   -1.6500    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   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
    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 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
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 23 29  2  0  0  0  0
 15 29  1  0  0  0  0
 29 30  1  0  0  0  0
 13 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 33 39  2  0  0  0  0
 10 39  1  0  0  0  0
 39 40  1  0  0  0  0
  6 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0310942

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C(=O)C1=C(O)C(CC2=C(O)C(C(=O)C(C)C)=C3OC(C)(CC=C(C)C)C=CC3=C2O)=C(O)C(C)(C)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H40O8/c1-15(2)10-12-32(9)13-11-18-25(35)19(26(36)21(28(18)40-32)23(33)16(3)4)14-20-27(37)22(24(34)17(5)6)30(39)31(7,8)29(20)38/h10-11,13,16-17,35-38H,12,14H2,1-9H3

> <INCHI_KEY>
PJXGKVDWZPNGBV-UHFFFAOYSA-N

> <FORMULA>
C32H40O8

> <MOLECULAR_WEIGHT>
552.664

> <EXACT_MASS>
552.272318248

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
59.95211792667411

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)-2H-chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

> <JCHEM_LOGP>
6.901289268333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.228295615643419

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.754417859800677

> <JCHEM_PKA_STRONGEST_BASIC>
-4.682139001202466

> <JCHEM_POLAR_SURFACE_AREA>
141.35999999999999

> <JCHEM_REFRACTIVITY>
158.2062

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-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      -3.679  -4.135   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.689  -2.955   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.216  -1.508   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.173  -3.222   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.183  -2.043   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.807  -3.757   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.137   2.471   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.152   3.583   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.142   5.297   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      10.669   6.160   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       2.667  -3.080   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    8   40                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   39                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   31                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   29                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   29                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   23   15   30                                                  
CONECT   30   29                                                            
CONECT   31   13   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   39                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   33   10   40                                                  
CONECT   40   39    6                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₀O₈

Average Mass

552.6640 Da

Monoisotopic Mass

552.27232 Da

IUPAC Name

4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)-2H-chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

Traditional Name

4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

CAS Registry Number

Not Available

SMILES

CC(C)C(=O)C1=C(O)C(CC2=C(O)C(C(=O)C(C)C)=C3OC(C)(CC=C(C)C)C=CC3=C2O)=C(O)C(C)(C)C1=O

InChI Identifier

InChI=1S/C32H40O8/c1-15(2)10-12-32(9)13-11-18-25(35)19(26(36)21(28(18)40-32)23(33)16(3)4)14-20-27(37)22(24(34)17(5)6)30(39)31(7,8)29(20)38/h10-11,13,16-17,35-38H,12,14H2,1-9H3

InChI Key

PJXGKVDWZPNGBV-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 japonicum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

1-benzopyrans

Alternative Parents

Substituents

1-benzopyran
Aryl alkyl ketone
Aryl ketone
Alkyl aryl ether
Phenol
Benzenoid
Vinylogous acid
Ketone
Cyclic ketone
Ether
Enol
Oxacycle
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organic oxygen compound
Carbonyl group
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	6.9	ChemAxon
pKa (Strongest Acidic)	3.75	ChemAxon
pKa (Strongest Basic)	-4.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	141.36 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	158.21 m³·mol⁻¹	ChemAxon
Polarizability	59.95 Å³	ChemAxon
Number of Rings	3	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

101062551

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hu LH, Khoo CW, Vittal JJ, Sim KY: Phloroglucinol derivatives from Hypericum japonicum. Phytochemistry. 2000 Mar;53(6):705-9. doi: 10.1016/s0031-9422(99)00617-2. [PubMed:10746884 ]
Ishiguro K, Yamaki M, Kashihara M, Takagi S: Sarothralen A and B, new antibiotic compounds from Hypericum japonicum. Planta Med. 1986 Aug;(4):288-90. doi: 10.1055/s-2007-969154. [PubMed:17345309 ]
LOTUS database [Link]

Showing NP-Card for 4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one (NP0310942)

MOL for NP0310942 (4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one)

3D MOL for NP0310942 (4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one)

3D SDF for NP0310942 (4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one)

3D-SDF for NP0310942 (4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one)

PDB for NP0310942 (4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one)

3D PDB for NP0310942 (4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one)

SMILES for NP0310942 (4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one)

INCHI for NP0310942 (4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one)

Structure for NP0310942 (4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one)

3D Structure for NP0310942 (4-{[5,7-dihydroxy-2-methyl-2-(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)chromen-6-yl]methyl}-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one)