NP-MRD: Showing NP-Card for (1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione (NP0296751)

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Record Information

Version

2.0

Created at

2022-09-10 06:31:21 UTC

Updated at

2022-09-10 06:31:21 UTC

NP-MRD ID

NP0296751

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

Description

Cassumunin A belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group. (1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione is found in Zingiber montanum. (1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione was first documented in 1997 (PMID: 9469642). Based on a literature review very few articles have been published on cassumunin A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102208312D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309102208312D          

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    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -7.4250    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  2  0  0  0  0
 27 36  1  0  0  0  0
 22 37  2  0  0  0  0
 15 37  1  0  0  0  0
  5 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
  3 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0296751

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C(=C2)C(C)\C=C\C2=CC=C(OC)C(OC)=C2)=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C33H34O8/c1-21(6-7-22-11-15-29(38-2)31(18-22)40-4)27-16-24(19-32(41-5)33(27)37)9-13-26(35)20-25(34)12-8-23-10-14-28(36)30(17-23)39-3/h6-19,21,36-37H,20H2,1-5H3/b7-6+,12-8+,13-9+

> <INCHI_KEY>
JNTVWGHEMUSWQN-BRLOHPTNSA-N

> <FORMULA>
C33H34O8

> <MOLECULAR_WEIGHT>
558.627

> <EXACT_MASS>
558.225368055

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
60.53881637837512

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1E,6E)-1-{3-[(3E)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

> <JCHEM_LOGP>
6.797910816333332

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.509012811465865

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.972604245203046

> <JCHEM_PKA_STRONGEST_BASIC>
-4.219149124078045

> <JCHEM_POLAR_SURFACE_AREA>
111.52000000000002

> <JCHEM_REFRACTIVITY>
161.34139999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1E,6E)-1-{3-[(3E)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -9.336 -11.550   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -8.002 -12.320   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -8.002 -13.860   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.668 -14.630   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.668 -16.170   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.335 -16.940   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.335 -18.480   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001 -19.250   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -4.001 -20.790   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -2.667 -18.480   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334 -19.250   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.334 -20.790   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.000 -18.480   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334 -19.250   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667 -18.480   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667 -16.940   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001 -16.170   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.001 -14.630   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335 -16.940   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.668 -16.170   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.335 -18.480   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668 -19.250   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.668 -20.790   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.002 -18.480   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.002 -16.940   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.336 -16.170   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      13.337 -13.860   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      13.337 -12.320   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      13.337 -16.940   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      13.337 -18.480   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.669 -16.940   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.001 -19.250   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -8.002 -16.940   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -9.336 -16.170   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -9.336 -14.630   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0     -10.669 -13.860   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   40                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   38                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   37                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   37                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   36                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   33   27                                                       
CONECT   37   22   15                                                       
CONECT   38    5   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39    3   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   86    0
END

View in JSmol

Synonyms

Value	Source
Cassumunin-a	MeSH

Chemical Formula

C₃₃H₃₄O₈

Average Mass

558.6270 Da

Monoisotopic Mass

558.22537 Da

IUPAC Name

(1E,6E)-1-{3-[(3E)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

Traditional Name

(1E,6E)-1-{3-[(3E)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

CAS Registry Number

Not Available

SMILES

COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C(=C2)C(C)\C=C\C2=CC=C(OC)C(OC)=C2)=CC=C1O

InChI Identifier

InChI=1S/C33H34O8/c1-21(6-7-22-11-15-29(38-2)31(18-22)40-4)27-16-24(19-32(41-5)33(27)37)9-13-26(35)20-25(34)12-8-23-10-14-28(36)30(17-23)39-3/h6-19,21,36-37H,20H2,1-5H3/b7-6+,12-8+,13-9+

InChI Key

JNTVWGHEMUSWQN-BRLOHPTNSA-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
Zingiber montanum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Sub Class

Linear diarylheptanoids

Direct Parent

Curcuminoids

Alternative Parents

Substituents

Curcumin
Cinnamylphenol
Linear 1,3-diarylpropanoid
Cinnamic acid or derivatives
Hydroxycinnamic acid or derivatives
O-dimethoxybenzene
Dimethoxybenzene
Methoxyphenol
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Styrene
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
1,3-diketone
Phenol
Monocyclic benzene moiety
Benzenoid
1,3-dicarbonyl compound
Acryloyl-group
Enone
Alpha,beta-unsaturated ketone
Ketone
Ether
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	6.8	ChemAxon
pKa (Strongest Acidic)	8.97	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	111.52 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	161.34 m³·mol⁻¹	ChemAxon
Polarizability	60.54 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

8635808

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10460395

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Nagano T, Oyama Y, Kajita N, Chikahisa L, Nakata M, Okazaki E, Masuda T: New curcuminoids isolated from Zingiber cassumunar protect cells suffering from oxidative stress: a flow-cytometric study using rat thymocytes and H2O2. Jpn J Pharmacol. 1997 Dec;75(4):363-70. doi: 10.1254/jjp.75.363. [PubMed:9469642 ]
LOTUS database [Link]

Showing NP-Card for (1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione (NP0296751)

MOL for NP0296751 ((1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione)

3D MOL for NP0296751 ((1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione)

3D SDF for NP0296751 ((1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione)

3D-SDF for NP0296751 ((1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione)

PDB for NP0296751 ((1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione)

3D PDB for NP0296751 ((1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione)

SMILES for NP0296751 ((1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione)

INCHI for NP0296751 ((1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione)

Structure for NP0296751 ((1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione)

3D Structure for NP0296751 ((1e,6e)-1-{3-[(3e)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione)