NP-MRD: Showing NP-Card for 10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione (NP0248259)

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Record Information

Version

2.0

Created at

2022-09-07 10:26:38 UTC

Updated at

2022-09-07 10:26:38 UTC

NP-MRD ID

NP0248259

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione

Description

15-(Butan-2-yl)-10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]Heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. 10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione is found in Stelletta clavosa. 15-(Butan-2-yl)-10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]Heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533005011512442D          

 62 68  0  0  0  0            999 V2000
    9.2055   -2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1533005011512442D          

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M  END
> <DATABASE_ID>
NP0248259

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)C1NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(C)NC(=O)C2=COC(=N2)C2CCCN2C(=O)C(CC2=CC=C(OCC=C(C)C)C=C2)NC(=O)C2=C(C)OC1=N2

> <INCHI_IDENTIFIER>
InChI=1S/C45H58N8O9/c1-7-26(4)36-42-50-37(28(6)62-42)40(56)47-31(23-29-14-16-30(17-15-29)60-22-18-25(2)3)44(58)52-20-9-12-34(52)41-48-32(24-61-41)38(54)46-27(5)43(57)53-21-10-13-35(53)45(59)51-19-8-11-33(51)39(55)49-36/h14-18,24,26-27,31,33-36H,7-13,19-23H2,1-6H3,(H,46,54)(H,47,56)(H,49,55)

> <INCHI_KEY>
CWNDJFUYFUFZRU-UHFFFAOYSA-N

> <FORMULA>
C45H58N8O9

> <MOLECULAR_WEIGHT>
855.006

> <EXACT_MASS>
854.43267548

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
120

> <JCHEM_AVERAGE_POLARIZABILITY>
90.89859566763835

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
15-(butan-2-yl)-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),11,14(37),33-tetraene-7,10,17,23,29,32-hexone

> <ALOGPS_LOGP>
3.56

> <JCHEM_LOGP>
2.6003709086666644

> <ALOGPS_LOGS>
-4.24

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.34558997094188

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.771162164497476

> <JCHEM_PKA_STRONGEST_BASIC>
-2.3350027976666348

> <JCHEM_POLAR_SURFACE_AREA>
209.51999999999998

> <JCHEM_REFRACTIVITY>
226.6956

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.91e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),11,14(37),33-tetraene-7,10,17,23,29,32-hexone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-MAY-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-MAY-15         0                                  
HETATM    1  C   UNK     0      17.184  -4.553   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.623  -4.006   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      18.869  -2.486   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      20.308  -1.938   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.675  -1.513   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      17.921   0.007   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      19.453   0.164   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      20.354  -1.085   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      20.084   1.568   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      21.550   2.040   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      21.555   3.580   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      19.859   4.671   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      19.182   2.817   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      20.155   4.011   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      21.677   4.247   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      19.608   5.450   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      20.311   6.820   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      19.226   7.913   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.444   7.063   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      18.088   5.696   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      17.931   7.228   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      18.841   8.471   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      16.527   7.859   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.370   9.391   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      15.278   6.958   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      14.084   7.931   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      14.330   9.451   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      12.645   7.383   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.294   8.122   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      10.173   7.066   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      10.867   5.707   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0      12.399   5.863   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0      10.236   4.302   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.770   3.831   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.765   2.291   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.460   1.200   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0      11.137   3.053   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0      10.164   1.859   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       8.643   1.623   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      10.712   0.420   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.739  -0.774   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       8.219  -0.528   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       7.246  -1.722   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       5.725  -1.476   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       5.178  -0.037   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       3.658   0.209   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       3.110   1.649   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       1.590   1.894   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       1.043   3.334   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -0.477   3.579   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       2.016   4.527   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       6.151   1.157   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       7.671   0.911   0.000  0.00  0.00           C+0
HETATM   54  N   UNK     0      12.232   0.174   0.000  0.00  0.00           N+0
HETATM   55  C   UNK     0      12.388  -1.358   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0      11.139  -2.259   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0      13.793  -1.989   0.000  0.00  0.00           C+0
HETATM   58  N   UNK     0      15.042  -1.087   0.000  0.00  0.00           N+0
HETATM   59  C   UNK     0      16.236  -2.060   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      15.765  -3.512   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0      14.226  -3.466   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      13.284  -4.685   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   59                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   13                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    9   14                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   16   21                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   32                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31   28                                                       
CONECT   33   31   34   37                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   33   38                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   54                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   53                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46   52                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
CONECT   52   45   53                                                       
CONECT   53   52   42                                                       
CONECT   54   40   55                                                       
CONECT   55   54   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55   58   61                                                  
CONECT   58   57   59                                                       
CONECT   59   58    5   60                                                  
CONECT   60   59   61                                                       
CONECT   61   60   57   62                                                  
CONECT   62   61                                                            
MASTER        0    0    0    0    0    0    0    0   62    0  136    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₅H₅₈N₈O₉

Average Mass

855.0060 Da

Monoisotopic Mass

854.43268 Da

IUPAC Name

15-(butan-2-yl)-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),11,14(37),33-tetraene-7,10,17,23,29,32-hexone

Traditional Name

12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),11,14(37),33-tetraene-7,10,17,23,29,32-hexone

CAS Registry Number

Not Available

SMILES

CCC(C)C1NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(C)NC(=O)C2=COC(=N2)C2CCCN2C(=O)C(CC2=CC=C(OCC=C(C)C)C=C2)NC(=O)C2=C(C)OC1=N2

InChI Identifier

InChI=1S/C45H58N8O9/c1-7-26(4)36-42-50-37(28(6)62-42)40(56)47-31(23-29-14-16-30(17-15-29)60-22-18-25(2)3)44(58)52-20-9-12-34(52)41-48-32(24-61-41)38(54)46-27(5)43(57)53-21-10-13-35(53)45(59)51-19-8-11-33(51)39(55)49-36/h14-18,24,26-27,31,33-36H,7-13,19-23H2,1-6H3,(H,46,54)(H,47,56)(H,49,55)

InChI Key

CWNDJFUYFUFZRU-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
Stelletta clavosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Not Available

Sub Class

Not Available

Direct Parent

Alkaloids and derivatives

Alternative Parents

Substituents

Alkaloid or derivatives
Aralkylamine
Pyridine
Piperidine
Heteroaromatic compound
Tertiary aliphatic amine
Tertiary amine
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Amine
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	3.56	ALOGPS
logP	2.6	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	11.77	ChemAxon
pKa (Strongest Basic)	-2.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	209.52 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	226.7 m³·mol⁻¹	ChemAxon
Polarizability	90.9 Å³	ChemAxon
Number of Rings	7	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

73837679

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione (NP0248259)

MOL for NP0248259 (10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione)

3D MOL for NP0248259 (10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione)

3D SDF for NP0248259 (10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione)

3D-SDF for NP0248259 (10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione)

PDB for NP0248259 (10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione)

3D PDB for NP0248259 (10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione)

SMILES for NP0248259 (10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione)

INCHI for NP0248259 (10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione)

Structure for NP0248259 (10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione)

3D Structure for NP0248259 (10,17,32-trihydroxy-12,30-dimethyl-8-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-15-(sec-butyl)-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),9,11,14(37),16,31,33-heptaene-7,23,29-trione)