NP-MRD: Showing NP-Card for [3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate (NP0241141)

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Record Information

Version

2.0

Created at

2022-09-07 01:08:12 UTC

Updated at

2022-09-07 01:08:12 UTC

NP-MRD ID

NP0241141

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Description

[3,4,5-Trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. [3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate is found in Ixeridium dentatum. Based on a literature review very few articles have been published on [3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072203082D          

 42 46  0  0  0  0            999 V2000
    5.6412   -1.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1803   -0.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9967   -1.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534   -2.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101   -1.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3265   -2.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6851   -1.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
  6 42  1  0  0  0  0
 13 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072203082D          

 42 46  0  0  0  0            999 V2000
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    1.9600    2.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280    2.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8510    3.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6189    4.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2639    3.5836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7419    4.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5099    5.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6328    6.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9878    6.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1108    7.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8787    7.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0017    8.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5238    7.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917    7.4496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4008    6.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3150    3.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380    4.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5471    2.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980    3.4068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241    2.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3439    1.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3864    0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763    1.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8409   -0.2370    0.0000 C   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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  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  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 22  1  4  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  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 26 33  1  0  0  0  0
 19 34  1  0  0  0  0
 34 35  1  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
 17 38  1  0  0  0  0
 38 39  1  0  0  0  0
 15 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
  6 42  1  0  0  0  0
 13 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0241141

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C(CC2C1C1OC(=O)C(=C)C1CCC2(C)O)OC1OC(COC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C30H36O12/c1-13-16-8-9-30(3,38)17-11-20(14(2)23(17)27(16)42-28(13)37)40-29-26(36)25(35)24(34)21(41-29)12-39-22(33)7-5-15-4-6-18(31)19(32)10-15/h4-7,10,16-17,21,23-27,29,31-32,34-36,38H,1,8-9,11-12H2,2-3H3

> <INCHI_KEY>
RMLMHTWGJWGFGS-UHFFFAOYSA-N

> <FORMULA>
C30H36O12

> <MOLECULAR_WEIGHT>
588.606

> <EXACT_MASS>
588.220676599

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
60.13378765860834

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

> <JCHEM_LOGP>
1.348631088666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.059145286511736

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.208193724131268

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9078038143222926

> <JCHEM_POLAR_SURFACE_AREA>
192.44

> <JCHEM_REFRACTIVITY>
146.93760000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      10.530  -1.954   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.245  -1.105   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.176   0.433   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      10.380   1.393   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       7.691   0.843   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.843  -0.442   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.803  -1.646   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.461  -3.148   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.073  -3.816   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.686  -3.148   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.343  -4.649   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       3.146  -3.148   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.343  -1.646   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.901  -1.105   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.970   0.433   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.766   1.393   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.996   2.916   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.429   3.479   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       3.659   5.002   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.092   5.564   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.322   7.087   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       6.755   7.650   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       7.959   6.689   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.985   9.172   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.418   9.735   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.648  11.258   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.444  12.218   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.673  13.741   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.107  14.303   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       9.337  15.826   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      10.311  13.343   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      11.745  13.906   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      10.081  11.820   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.455   5.962   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.684   7.485   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       1.021   5.399   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -0.183   6.359   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       0.792   3.876   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -0.642   3.314   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       4.455   0.843   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.996   2.285   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       5.303  -0.442   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   42                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13   10   14   42                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   40                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   38                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   34                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   33                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   26                                                       
CONECT   34   19   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   17   39                                                  
CONECT   39   38                                                            
CONECT   40   15   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40    6   13                                                  
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Value	Source
[3,4,5-Trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-2H,3H,3ah,4H,5H,6H,6ah,7H,9ah,9BH-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoic acid	Generator

Chemical Formula

C₃₀H₃₆O₁₂

Average Mass

588.6060 Da

Monoisotopic Mass

588.22068 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1=C(CC2C1C1OC(=O)C(=C)C1CCC2(C)O)OC1OC(COC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C30H36O12/c1-13-16-8-9-30(3,38)17-11-20(14(2)23(17)27(16)42-28(13)37)40-29-26(36)25(35)24(34)21(41-29)12-39-22(33)7-5-15-4-6-18(31)19(32)10-15/h4-7,10,16-17,21,23-27,29,31-32,34-36,38H,1,8-9,11-12H2,2-3H3

InChI Key

RMLMHTWGJWGFGS-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
Ixeridium dentatum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Guaianolides and derivatives

Alternative Parents

Substituents

Guaianolide-skeleton
Terpene glycoside
Sesquiterpenoid
Guaiane sesquiterpenoid
Hydroxycinnamic acid or derivatives
Cinnamic acid ester
Coumaric acid or derivatives
Cinnamic acid or derivatives
Glycosyl compound
O-glycosyl compound
Catechol
Styrene
Fatty acid ester
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Phenol
Benzenoid
Gamma butyrolactone
Monosaccharide
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Fatty acyl
Oxane
Cyclic alcohol
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Tertiary alcohol
Carboxylic acid ester
Secondary alcohol
Lactone
Organoheterocyclic compound
Acetal
Oxacycle
Carboxylic acid derivative
Polyol
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organooxygen compound
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

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

163067909

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate (NP0241141)

MOL for NP0241141 ([3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate)

3D MOL for NP0241141 ([3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate)

3D SDF for NP0241141 ([3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate)

3D-SDF for NP0241141 ([3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate)

PDB for NP0241141 ([3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate)

3D PDB for NP0241141 ([3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate)

SMILES for NP0241141 ([3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate)

INCHI for NP0241141 ([3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate)

Structure for NP0241141 ([3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate)

3D Structure for NP0241141 ([3,4,5-trihydroxy-6-({6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-8-yl}oxy)oxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate)