NP-MRD: Showing NP-Card for 1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one (NP0183361)

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Record Information

Version

2.0

Created at

2022-09-03 22:15:06 UTC

Updated at

2022-09-03 22:15:06 UTC

NP-MRD ID

NP0183361

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one

Description

1,3-Dihydroxy-5-[(1H-indol-3-yl)methyl]-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]Hexadec-3-en-6-one belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group. 1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one is found in Geomyces auratus. Based on a literature review very few articles have been published on 1,3-dihydroxy-5-[(1H-indol-3-yl)methyl]-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]Hexadec-3-en-6-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042200152D          

 41 44  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309042200152D          

 41 44  0  0  0  0            999 V2000
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    6.6589    2.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4769    2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3426    1.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8444    0.8410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5349   -0.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7099   -0.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8098   -0.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6006   -1.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927   -1.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5547   -2.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4894   -2.9608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6870   -3.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2929   -3.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4682   -3.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0376   -3.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4317   -2.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2565   -2.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1549   -1.2867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4753   -0.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4290    0.0047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759   -0.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2432   -1.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0741   -0.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7579   -1.0043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3904    0.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8886    1.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2048    1.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7030    2.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0228    2.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5246    1.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2084    0.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0706    1.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5688    1.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7543    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2561   -0.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9399   -1.1115    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  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  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  1  0  0  0  0
 17 18  2  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
 21 22  2  0  0  0  0
 14 22  1  0  0  0  0
 17 22  1  0  0  0  0
 23 12  1  4  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
  8 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 28 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0183361

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)CC(C)C1OC(=O)C(CC2=CNC3=CC=CC=C23)N=C(O)C(C)C2(O)OC(C(C)CC2C)C(C)CC1C

> <INCHI_IDENTIFIER>
InChI=1S/C34H52N2O5/c1-9-19(2)14-20(3)30-21(4)15-22(5)31-23(6)16-24(7)34(39,41-31)25(8)32(37)36-29(33(38)40-30)17-26-18-35-28-13-11-10-12-27(26)28/h10-13,18-25,29-31,35,39H,9,14-17H2,1-8H3,(H,36,37)

> <INCHI_KEY>
RUYRJDGCBYKMPZ-UHFFFAOYSA-N

> <FORMULA>
C34H52N2O5

> <MOLECULAR_WEIGHT>
568.799

> <EXACT_MASS>
568.387622782

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
93

> <JCHEM_AVERAGE_POLARIZABILITY>
65.23634884064823

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-dihydroxy-5-[(1H-indol-3-yl)methyl]-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one

> <JCHEM_LOGP>
8.467517575666665

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.68615749259118

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.90999385673037

> <JCHEM_PKA_STRONGEST_BASIC>
1.4828194626300455

> <JCHEM_POLAR_SURFACE_AREA>
104.14000000000001

> <JCHEM_REFRACTIVITY>
161.46400000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1,3-dihydroxy-5-(1H-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      11.737   9.504   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.147   8.082   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.084   6.859   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.610   7.059   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.493   5.437   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.430   4.215   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.957   4.415   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.840   2.792   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      12.776   1.570   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      12.198  -0.013   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      10.658  -0.005   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      12.712  -1.465   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.188  -1.904   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.546  -3.401   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.969  -3.992   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      15.847  -5.527   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      14.349  -5.885   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.613  -7.238   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.074  -7.277   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.270  -5.964   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.006  -4.611   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.545  -4.572   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0      11.489  -2.402   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0      10.221  -1.529   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      10.134   0.009   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       8.542  -1.675   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.921  -3.084   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.605  -0.452   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       7.015  -1.875   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       8.195   0.970   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       7.259   2.192   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.849   3.615   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.912   4.837   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.376   3.815   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.313   2.592   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       9.722   1.170   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.732   1.992   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.795   3.215   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.141   0.570   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.078  -0.652   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.488  -2.075   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   35                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   23                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   14   17                                                  
CONECT   23   12   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30   40                                             
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   37                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34    8   36                                                  
CONECT   36   35                                                            
CONECT   37   31   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   28   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₅₂N₂O₅

Average Mass

568.7990 Da

Monoisotopic Mass

568.38762 Da

IUPAC Name

1,3-dihydroxy-5-[(1H-indol-3-yl)methyl]-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one

Traditional Name

1,3-dihydroxy-5-(1H-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one

CAS Registry Number

Not Available

SMILES

CCC(C)CC(C)C1OC(=O)C(CC2=CNC3=CC=CC=C23)N=C(O)C(C)C2(O)OC(C(C)CC2C)C(C)CC1C

InChI Identifier

InChI=1S/C34H52N2O5/c1-9-19(2)14-20(3)30-21(4)15-22(5)31-23(6)16-24(7)34(39,41-31)25(8)32(37)36-29(33(38)40-30)17-26-18-35-28-13-11-10-12-27(26)28/h10-13,18-25,29-31,35,39H,9,14-17H2,1-8H3,(H,36,37)

InChI Key

RUYRJDGCBYKMPZ-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
Geomyces auratus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolide lactams

Sub Class

Not Available

Direct Parent

Macrolide lactams

Alternative Parents

Substituents

Macrolide lactam
Macrolide
Macrolactam
Alpha-amino acid ester
3-alkylindole
Alpha-amino acid or derivatives
Indole or derivatives
Indole
Benzenoid
Substituted pyrrole
Oxane
Heteroaromatic compound
Pyrrole
Secondary carboxylic acid amide
Lactone
Lactam
Hemiacetal
Carboxylic acid ester
Carboxamide group
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
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	8.47	ChemAxon
pKa (Strongest Acidic)	4.91	ChemAxon
pKa (Strongest Basic)	1.48	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	104.14 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	161.46 m³·mol⁻¹	ChemAxon
Polarizability	65.24 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

162814901

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one (NP0183361)

MOL for NP0183361 (1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one)

3D MOL for NP0183361 (1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one)

3D SDF for NP0183361 (1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one)

3D-SDF for NP0183361 (1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one)

PDB for NP0183361 (1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one)

3D PDB for NP0183361 (1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one)

SMILES for NP0183361 (1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one)

INCHI for NP0183361 (1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one)

Structure for NP0183361 (1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one)

3D Structure for NP0183361 (1,3-dihydroxy-5-(1h-indol-3-ylmethyl)-2,9,11,13,15-pentamethyl-8-(4-methylhexan-2-yl)-7,16-dioxa-4-azabicyclo[10.3.1]hexadec-3-en-6-one)