NP-MRD: Showing NP-Card for 9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione (NP0326415)

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Record Information

Version

2.0

Created at

2022-09-12 07:56:35 UTC

Updated at

2022-09-12 07:56:36 UTC

NP-MRD ID

NP0326415

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione

Description

9-Hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]Nonadeca-3,10,12-triene-5,17-dione belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. 9-Hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]Nonadeca-3,10,12-triene-5,17-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171510352D          

 42 44  0  0  0  0            999 V2000
    7.2144    1.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5575    2.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7798    8.3437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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 29 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004171510352D          

 42 44  0  0  0  0            999 V2000
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    4.7627    9.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7798    8.3437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5548    5.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0788    3.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7968    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4538    1.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500    0.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0070    0.2926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5894    0.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4856   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250   -0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680   -0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1718    0.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9324    0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5148    1.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6185    1.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9616    2.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0653    3.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8260    3.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4829    3.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2436    3.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3473    4.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9005    2.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2009    2.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0972    1.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3366    1.0112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.8315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3512    1.2621    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  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  4  0  0  0
  9 10  2  0  0  0  0
 10 11  1  4  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  2  0  0  0  0
 11 16  1  0  0  0  0
  9 17  1  0  0  0  0
  5 18  1  0  0  0  0
  2 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
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  4  0  0  0
 25 26  2  0  0  0  0
 26 27  1  4  0  0  0
 27 28  1  0  0  0  0
 27 29  1  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
 33 32  1  4  0  0  0
 33 34  2  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
 19 37  1  0  0  0  0
 31 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 29 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0326415

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C(O)C(C)=CC=CC(C)=CC1=COC(C)=N1)C1CC(O)C(C)=CC=CC(C)C2CC(CC(=O)O2)CC=CC(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C34H45NO7/c1-21(16-28-20-40-26(6)35-28)10-7-13-24(4)34(39)25(5)31-19-29(36)22(2)11-8-12-23(3)30-17-27(18-33(38)41-30)14-9-15-32(37)42-31/h7-13,15-16,20,23,25,27,29-31,34,36,39H,14,17-19H2,1-6H3

> <INCHI_KEY>
UXYQQJKWJBNEES-UHFFFAOYSA-N

> <FORMULA>
C34H45NO7

> <MOLECULAR_WEIGHT>
579.734

> <EXACT_MASS>
579.319602793

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
66.0554067873419

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione

> <ALOGPS_LOGP>
5.52

> <JCHEM_LOGP>
4.6838230796666664

> <ALOGPS_LOGS>
-4.61

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.720399089513887

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.083139094842565

> <JCHEM_PKA_STRONGEST_BASIC>
0.5795691535569623

> <JCHEM_POLAR_SURFACE_AREA>
119.09000000000002

> <JCHEM_REFRACTIVITY>
167.2133000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.44e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      13.467   3.602   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.241   4.533   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.434   6.061   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      11.208   6.993   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      13.854   6.657   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.048   8.185   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.822   9.117   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.015  10.644   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.789  11.576   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.982  13.104   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.756  14.035   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.282  13.591   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.403  14.856   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       9.335  16.082   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.890  17.556   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      10.789  15.575   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      10.369  10.980   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      15.080   5.726   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.821   3.937   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.047   3.005   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.853   1.478   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      13.080   0.546   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      10.433   0.881   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.240  -0.646   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.820  -1.242   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.594  -0.311   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.787   1.217   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.207   1.813   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.561   2.148   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.755   3.676   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.528   4.608   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.722   6.136   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.142   6.732   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.368   5.800   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.788   6.396   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       9.982   7.924   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      11.014   5.465   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       4.108   4.012   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.915   2.484   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       2.495   1.888   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       5.141   1.552   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       9.989   2.356   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   18                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   17                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   11                                                       
CONECT   17    9                                                            
CONECT   18    5                                                            
CONECT   19    2   20   37                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   42                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   41                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   38                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   19                                                       
CONECT   38   31   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   29                                                       
CONECT   42   23                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₄₅NO₇

Average Mass

579.7340 Da

Monoisotopic Mass

579.31960 Da

IUPAC Name

9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione

Traditional Name

9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione

CAS Registry Number

Not Available

SMILES

CC(C(O)C(C)=CC=CC(C)=CC1=COC(C)=N1)C1CC(O)C(C)=CC=CC(C)C2CC(CC(=O)O2)CC=CC(=O)O1

InChI Identifier

InChI=1S/C34H45NO7/c1-21(16-28-20-40-26(6)35-28)10-7-13-24(4)34(39)25(5)31-19-29(36)22(2)11-8-12-23(3)30-17-27(18-33(38)41-30)14-9-15-32(37)42-31/h7-13,15-16,20,23,25,27,29-31,34,36,39H,14,17-19H2,1-6H3

InChI Key

UXYQQJKWJBNEES-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Macrolide
Aromatic monoterpenoid
Monoterpenoid
Bicyclic monoterpenoid
2,4-disubstituted 1,3-oxazole
Delta valerolactone
Delta_valerolactone
Oxane
Dicarboxylic acid or derivatives
Azole
Heteroaromatic compound
Oxazole
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Oxacycle
Azacycle
Organoheterocyclic compound
Alcohol
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organooxygen compound
Organonitrogen 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
logP	5.52	ALOGPS
logP	4.68	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	14.08	ChemAxon
pKa (Strongest Basic)	0.58	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	119.09 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	167.21 m³·mol⁻¹	ChemAxon
Polarizability	66.06 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	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

73014801

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione (NP0326415)

MOL for NP0326415 (9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione)

3D MOL for NP0326415 (9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione)

3D SDF for NP0326415 (9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione)

3D-SDF for NP0326415 (9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione)

PDB for NP0326415 (9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione)

3D PDB for NP0326415 (9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione)

SMILES for NP0326415 (9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione)

INCHI for NP0326415 (9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione)

Structure for NP0326415 (9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione)

3D Structure for NP0326415 (9-hydroxy-7-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-10,14-dimethyl-6,16-dioxabicyclo[13.3.1]nonadeca-3,10,12-triene-5,17-dione)