NP-MRD: Showing NP-Card for 6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone (NP0245300)

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Record Information

Version

1.0

Created at

2022-09-07 06:19:58 UTC

Updated at

2022-09-07 06:19:58 UTC

NP-MRD ID

NP0245300

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone

Description

6-(2,6-Dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,5,6,12-hexahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. 6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone is found in Aplidium conicum. 6-(2,6-Dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,5,6,12-hexahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004191518442D          

 42 45  0  0  0  0            999 V2000
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  6 41  1  0  0  0  0
  2 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004191518442D          

 42 45  0  0  0  0            999 V2000
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    1.0802   -0.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502    0.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700   -0.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700    0.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0802    0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6203    0.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4304    0.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3502    1.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -2.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1604   -3.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -4.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705   -3.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004   -2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705   -1.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507   -2.5204    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564   -1.7497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586   -2.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908   -3.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -4.0796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -3.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -4.8591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0802   -2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0507    0.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  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  4  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 13 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
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  2  0  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 27 36  1  0  0  0  0
 24 37  1  0  0  0  0
 11 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
  9 39  1  0  0  0  0
 39 40  1  0  0  0  0
  6 41  1  0  0  0  0
  2 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0245300

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCCC(C)=CCC1=CC2=C(C=C1O)C1=C(C(O2)C=C(C)CCC=C(C)C)C(=O)C2=C(NCCS2(=O)=O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C34H41NO6S/c1-20(2)9-7-11-22(5)13-14-24-18-27-25(19-26(24)36)29-30(28(41-27)17-23(6)12-8-10-21(3)4)33(38)34-31(32(29)37)35-15-16-42(34,39)40/h9-10,13,17-19,28,35-36H,7-8,11-12,14-16H2,1-6H3

> <INCHI_KEY>
RSYQGCBRLDOENZ-UHFFFAOYSA-N

> <FORMULA>
C34H41NO6S

> <MOLECULAR_WEIGHT>
591.76

> <EXACT_MASS>
591.265459218

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
66.92453584260161

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,5,6,12-hexahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone

> <ALOGPS_LOGP>
5.14

> <JCHEM_LOGP>
6.215952388000001

> <ALOGPS_LOGS>
-5.65

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.318195814948485

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.019608868467293

> <JCHEM_PKA_STRONGEST_BASIC>
-4.914621816532164

> <JCHEM_POLAR_SURFACE_AREA>
109.77000000000001

> <JCHEM_REFRACTIVITY>
172.35590000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.32e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0      -7.057  -2.086   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.553  -0.630   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.041  -0.339   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.033  -1.503   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.537  -2.959   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.529  -4.123   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.033  -5.578   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.024  -6.742   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.512  -6.451   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.008  -4.996   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.504  -4.705   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.008  -3.250   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.520  -2.959   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.024  -1.503   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.016  -0.339   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.520   1.116   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.504  -0.630   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.504   0.534   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.016   0.243   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.024   1.407   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.537   1.116   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.520   2.862   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.529  -4.123   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.024  -5.578   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.033  -6.742   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       3.529  -8.197   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       5.545  -6.451   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.049  -4.996   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.041  -3.832   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       5.545  -2.377   0.000  0.00  0.00           O+0
HETATM   31  S   UNK     0       7.561  -4.705   0.000  0.00  0.00           S+0
HETATM   32  O   UNK     0       7.012  -3.266   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       8.883  -3.914   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       8.569  -5.869   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.065  -7.324   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0       6.553  -7.615   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0       1.512  -5.869   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.008  -7.324   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -0.504  -7.615   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -1.008  -9.070   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -2.016  -3.832   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -7.561   0.534   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   42                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   41                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   39                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   37                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   23                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   13   24   29                                                  
CONECT   24   23   25   37                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   36                                                  
CONECT   28   27   29   31                                                  
CONECT   29   28   23   30                                                  
CONECT   30   29                                                            
CONECT   31   28   32   33   34                                             
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   31   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   27                                                       
CONECT   37   24   11   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38    9   40                                                  
CONECT   40   39                                                            
CONECT   41    6                                                            
CONECT   42    2                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₄₁NO₆S

Average Mass

591.7600 Da

Monoisotopic Mass

591.26546 Da

IUPAC Name

6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,5,6,12-hexahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone

Traditional Name

6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone

CAS Registry Number

Not Available

SMILES

CC(C)=CCCC(C)=CCC1=CC2=C(C=C1O)C1=C(C(O2)C=C(C)CCC=C(C)C)C(=O)C2=C(NCCS2(=O)=O)C1=O

InChI Identifier

InChI=1S/C34H41NO6S/c1-20(2)9-7-11-22(5)13-14-24-18-27-25(19-26(24)36)29-30(28(41-27)17-23(6)12-8-10-21(3)4)33(38)34-31(32(29)37)35-15-16-42(34,39)40/h9-10,13,17-19,28,35-36H,7-8,11-12,14-16H2,1-6H3

InChI Key

RSYQGCBRLDOENZ-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
Aplidium conicum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Aromatic monoterpenoids

Alternative Parents

Substituents

Aromatic monoterpenoid
Benzopyran
1-benzopyran
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Para-thiazine
Benzenoid
Sulfone
Vinylogous amide
Ketone
Secondary aliphatic amine
Enamine
Ether
Secondary amine
Oxacycle
Azacycle
Organoheterocyclic compound
Amine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Organic oxide
Carbonyl group
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	5.14	ALOGPS
logP	6.22	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	9.02	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	109.77 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	172.36 m³·mol⁻¹	ChemAxon
Polarizability	66.92 Å³	ChemAxon
Number of Rings	4	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

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

85430354

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone (NP0245300)

MOL for NP0245300 (6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone)

3D MOL for NP0245300 (6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone)

3D SDF for NP0245300 (6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone)

3D-SDF for NP0245300 (6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone)

PDB for NP0245300 (6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone)

3D PDB for NP0245300 (6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone)

SMILES for NP0245300 (6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone)

INCHI for NP0245300 (6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone)

Structure for NP0245300 (6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone)

3D Structure for NP0245300 (6-(2,6-dimethylhepta-1,5-dien-1-yl)-9-(3,7-dimethylocta-2,6-dien-1-yl)-10-hydroxy-1,2,3,6-tetrahydro-7-oxa-4λ⁶-thia-1-azatetraphene-4,4,5,12-tetrone)