NP-MRD: Showing NP-Card for (7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione (NP0154095)

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Record Information

Version

2.0

Created at

2022-09-02 10:51:35 UTC

Updated at

2022-09-02 10:51:35 UTC

NP-MRD ID

NP0154095

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione

Description

Kurziflavolactone D belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3. (7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione is found in Cryptocarya kurzii. Based on a literature review very few articles have been published on Kurziflavolactone D.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022212512D          

 39 44  0  0  1  0            999 V2000
    8.0021    1.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2418    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7819    2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5921    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8621    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3220    1.0361    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5119    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9718    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2418   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0520   -0.3671    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7577   -1.1378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7471   -1.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4550   -2.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1758   -1.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8838   -2.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8709   -2.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1501   -3.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4421   -2.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5921    0.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1617    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8916    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5414    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8114    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6216    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8916   -0.6789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1912    0.5684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3810    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8409    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0308    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7608    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3009    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7313    1.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4317    2.1275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  7  1  0  0  0  0
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  2 39  1  0  0  0  0
M  END

     RDKit          3D

 69 74  0  0  0  0  0  0  0  0999 V2000
    1.1619    4.8780    0.9185 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309022212512D          

 39 44  0  0  1  0            999 V2000
    8.0021    1.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2418    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  5  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  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 10 20  1  0  0  0  0
  6 20  1  6  0  0  0
  8 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  6  0  0  0
 32 33  2  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
 36 37  2  0  0  0  0
 32 37  1  0  0  0  0
 31 38  1  0  0  0  0
 24 38  1  0  0  0  0
 22 39  1  0  0  0  0
  2 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0154095

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=C2C(=O)C[C@@H](OC2=CC2=C1C1C[C@H](CCCC(=O)O2)O[C@@](O)(C1)\C=C\C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C32H30O7/c33-24-17-25(21-10-5-2-6-11-21)37-27-18-26-29(31(35)30(24)27)22-16-23(12-7-13-28(34)38-26)39-32(36,19-22)15-14-20-8-3-1-4-9-20/h1-6,8-11,14-15,18,22-23,25,35-36H,7,12-13,16-17,19H2/b15-14+/t22?,23-,25+,32+/m0/s1

> <INCHI_KEY>
QEBDFZMXMJQISE-GCKMORRVSA-N

> <FORMULA>
C32H30O7

> <MOLECULAR_WEIGHT>
526.585

> <EXACT_MASS>
526.199153306

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
57.049215018959956

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(7R,17S,19S)-3,19-dihydroxy-7-phenyl-19-[(E)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0^{2,11}.0^{4,9}]henicosa-2(11),3,9-triene-5,13-dione

> <ALOGPS_LOGP>
4.22

> <JCHEM_LOGP>
6.179101539666666

> <ALOGPS_LOGS>
-5.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.645157162089145

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.724749469682571

> <JCHEM_PKA_STRONGEST_BASIC>
-4.266385087805642

> <JCHEM_POLAR_SURFACE_AREA>
102.29000000000002

> <JCHEM_REFRACTIVITY>
145.54609999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.47e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(7R,17S,19S)-3,19-dihydroxy-7-phenyl-19-[(E)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0^{2,11}.0^{4,9}]henicosa-2(11),3,9-triene-5,13-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  O   UNK     0      14.937   2.207   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      15.385   3.680   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.393   4.844   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      17.905   4.553   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      18.409   3.098   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      17.401   1.934   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.889   2.225   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.881   1.061   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.385  -0.394   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.897  -0.685   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      16.348  -2.124   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      18.219  -1.476   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      18.195  -3.016   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      19.516  -3.806   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      20.862  -3.057   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      22.183  -3.848   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      22.159  -5.388   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      20.814  -6.137   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      19.492  -5.346   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      17.905   0.479   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      13.368   1.352   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.864   2.807   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.352   3.098   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.344   1.934   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.848   0.479   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.360   0.188   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      12.864  -1.267   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       9.840  -0.685   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      10.344  -2.140   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       8.328  -0.394   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.824   1.061   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.311   1.352   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.303   0.188   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.791   0.479   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.287   1.934   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.295   3.098   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.807   2.807   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       8.832   2.225   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      13.873   3.971   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   39                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   20                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   21                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12   20                                             
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   14                                                       
CONECT   20   10    6                                                       
CONECT   21    8   22   26                                                  
CONECT   22   21   23   39                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   38                                                  
CONECT   25   24   26   28                                                  
CONECT   26   25   21   27                                                  
CONECT   27   26                                                            
CONECT   28   25   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   38                                                  
CONECT   32   31   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   32                                                       
CONECT   38   31   24                                                       
CONECT   39   22    2                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

View in JSmol

Synonyms

Value	Source
Kurziflavolactone C	MeSH

Chemical Formula

C₃₂H₃₀O₇

Average Mass

526.5850 Da

Monoisotopic Mass

526.19915 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

OC1=C2C(=O)C[C@@H](OC2=CC2=C1C1C[C@H](CCCC(=O)O2)O[C@@](O)(C1)\C=C\C1=CC=CC=C1)C1=CC=CC=C1

InChI Identifier

InChI=1S/C32H30O7/c33-24-17-25(21-10-5-2-6-11-21)37-27-18-26-29(31(35)30(24)27)22-16-23(12-7-13-28(34)38-26)39-32(36,19-22)15-14-20-8-3-1-4-9-20/h1-6,8-11,14-15,18,22-23,25,35-36H,7,12-13,16-17,19H2/b15-14+/t22?,23-,25+,32+/m0/s1

InChI Key

QEBDFZMXMJQISE-GCKMORRVSA-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
Cryptocarya kurzii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Flavanones

Alternative Parents

Substituents

Hydroxyflavonoid
5-hydroxyflavonoid
Flavanone
Chromone
Chromane
Benzopyran
1-benzopyran
Styrene
Aryl ketone
Aryl alkyl ketone
1-hydroxy-4-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Oxane
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Carboxylic acid ester
Hemiacetal
Lactone
Ketone
Ether
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Monocarboxylic acid or derivatives
Organooxygen compound
Organic oxygen compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavanones (LMPK12140162 )

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00014300

Chemspider ID

24846308

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44260094

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione (NP0154095)

MOL for NP0154095 ((7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione)

3D MOL for NP0154095 ((7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione)

3D SDF for NP0154095 ((7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione)

3D-SDF for NP0154095 ((7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione)

PDB for NP0154095 ((7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione)

3D PDB for NP0154095 ((7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione)

SMILES for NP0154095 ((7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione)

INCHI for NP0154095 ((7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione)

Structure for NP0154095 ((7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione)

3D Structure for NP0154095 ((7r,17s,19s)-3,19-dihydroxy-7-phenyl-19-[(1e)-2-phenylethenyl]-8,12,18-trioxatetracyclo[15.3.1.0²,¹¹.0⁴,⁹]henicosa-2(11),3,9-triene-5,13-dione)