NP-MRD: Showing NP-Card for 13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone (NP0197592)

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Record Information

Version

2.0

Created at

2022-09-04 15:53:11 UTC

Updated at

2022-09-04 15:53:11 UTC

NP-MRD ID

NP0197592

Secondary Accession Numbers

None

Natural Product Identification

Common Name

13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone

Description

13,19,23-Trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]Nonacosa-1(17),2(11),4(9),5,7,18,20(25),26,28-nonaene-3,10,15,21-tetrone belongs to the class of organic compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). 13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone is found in Cortinarius sinapicolor. 13,19,23-Trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]Nonacosa-1(17),2(11),4(9),5,7,18,20(25),26,28-nonaene-3,10,15,21-tetrone is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241515212D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004241515212D          

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    2.9496    1.3811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4963    0.1078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1529   -0.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4076   -0.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3415   -1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5963   -2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5301   -2.9948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206   -2.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659   -1.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4450   -2.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1902   -2.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8693   -2.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6145   -2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8337   -2.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4359   -2.0845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6807   -1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0016   -0.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0677   -0.0491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2563   -1.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5772   -0.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6434    0.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8320   -1.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900   -0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1679    0.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0334   -0.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8547   -1.0213    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  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
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 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
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 29 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 21 40  2  0  0  0  0
 27 40  1  0  0  0  0
 12 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
  8 43  1  0  0  0  0
 43 44  2  0  0  0  0
  3 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0197592

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC)=C2C(=O)C3=C(CC(C)(O)CC(=O)OC4=C5C(O)=C6C(=O)CC(C)(O)CC6=CC5=CC(CO)=C34)C(=O)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C33H30O11/c1-32(40)9-15-5-14-6-16(13-34)24-27-19(28(37)18-7-17(42-3)8-21(43-4)26(18)30(27)39)10-33(2,41)12-22(36)44-31(24)25(14)29(38)23(15)20(35)11-32/h5-8,34,38,40-41H,9-13H2,1-4H3

> <INCHI_KEY>
PNMPVDIDYQMUPD-UHFFFAOYSA-N

> <FORMULA>
C33H30O11

> <MOLECULAR_WEIGHT>
602.592

> <EXACT_MASS>
602.178811786

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
61.78241012964546

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2(11),4,6,8,17,19,25,27-nonaene-3,10,15,21-tetrone

> <ALOGPS_LOGP>
3.00

> <JCHEM_LOGP>
2.0626563453333326

> <ALOGPS_LOGS>
-4.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.177519588998347

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.353112166924313

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9312490817438386

> <JCHEM_POLAR_SURFACE_AREA>
176.89000000000001

> <JCHEM_REFRACTIVITY>
157.69899999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.79e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2(11),4,6,8,17,19,25,27-nonaene-3,10,15,21-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      -6.277  -4.852   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -5.636  -3.452   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -4.103  -3.307   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.211  -4.562   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.678  -4.417   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.786  -5.672   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.427  -7.072   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.037  -3.017   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.496  -2.872   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.480  -4.412   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.137  -1.471   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.245  -0.216   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.369   1.319   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.450   2.415   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.089   3.137   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.751   3.926   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.983   2.560   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.251   1.686   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.506   2.578   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.660   0.201   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.019  -1.199   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.628  -1.860   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.504  -3.395   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.113  -4.055   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.990  -5.590   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.772  -4.269   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.163  -3.608   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.431  -4.483   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.822  -3.822   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.089  -4.697   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.480  -4.036   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.889  -5.521   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      12.014  -3.891   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      10.604  -2.501   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.336  -1.627   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       9.460  -0.092   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       7.945  -2.287   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.677  -1.413   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       6.801   0.122   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       5.286  -2.073   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -1.288  -0.361   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -2.180   0.894   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -1.929  -1.761   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -3.462  -1.906   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   44                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9   43                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   22                                                  
CONECT   12   11   13   41                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16   17                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   14   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   40                                                  
CONECT   22   21   11   23                                                  
CONECT   23   22   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   23   27                                                       
CONECT   27   26   28   40                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   37                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33   34                                             
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   31   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   29   38                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   21   27                                                  
CONECT   41   12   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41    8   44                                                  
CONECT   44   43    3                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₃₀O₁₁

Average Mass

602.5920 Da

Monoisotopic Mass

602.17881 Da

IUPAC Name

13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2(11),4,6,8,17,19,25,27-nonaene-3,10,15,21-tetrone

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC(OC)=C2C(=O)C3=C(CC(C)(O)CC(=O)OC4=C5C(O)=C6C(=O)CC(C)(O)CC6=CC5=CC(CO)=C34)C(=O)C2=C1

InChI Identifier

InChI=1S/C33H30O11/c1-32(40)9-15-5-14-6-16(13-34)24-27-19(28(37)18-7-17(42-3)8-21(43-4)26(18)30(27)39)10-33(2,41)12-22(36)44-31(24)25(14)29(38)23(15)20(35)11-32/h5-8,34,38,40-41H,9-13H2,1-4H3

InChI Key

PNMPVDIDYQMUPD-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
Cortinarius sinapicolor	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Naphthoquinone
1-naphthol
Tetralin
Anisole
Aryl alkyl ketone
Aryl ketone
Quinone
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Vinylogous acid
Tertiary alcohol
Carboxylic acid ester
Ketone
Lactone
Carboxylic acid derivative
Ether
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Polyol
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Aromatic alcohol
Primary alcohol
Organooxygen compound
Alcohol
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	3	ALOGPS
logP	2.06	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	7.35	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	176.89 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	157.7 m³·mol⁻¹	ChemAxon
Polarizability	61.78 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone (NP0197592)

MOL for NP0197592 (13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

3D MOL for NP0197592 (13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

3D SDF for NP0197592 (13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

3D-SDF for NP0197592 (13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

PDB for NP0197592 (13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

3D PDB for NP0197592 (13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

SMILES for NP0197592 (13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

INCHI for NP0197592 (13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

Structure for NP0197592 (13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)

3D Structure for NP0197592 (13,19,23-trihydroxy-29-(hydroxymethyl)-5,7-dimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(11),4,6,8,18,20(25),26,28-nonaene-3,10,15,21-tetrone)