NP-MRD: Showing NP-Card for n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide (NP0316762)

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Record Information

Version

2.0

Created at

2022-09-11 16:10:17 UTC

Updated at

2022-09-11 16:10:17 UTC

NP-MRD ID

NP0316762

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide

Description

N-methyl-N-[(10S,12S,16R)-3,5,14-trimethoxy-13-oxo-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]Hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide belongs to the class of organic compounds known as lumicolchicine alkaloids. These are alkaloids with a structure based on the tetracyclic lumicolchicine skeleton. They can derive from a colchicine precursor where the cycloheptatriene ring is replaced with a bicyclo[3.2.0]Hepta-2,6-diene ring system. n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide is found in Colchicum autumnale. Based on a literature review very few articles have been published on N-methyl-N-[(10S,12S,16R)-3,5,14-trimethoxy-13-oxo-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]Hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112218102D          

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M  END

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M  END


  Mrv1652309112218102D          

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    0.5003    1.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0813    0.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905    1.3361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4902    1.9027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2807    1.6666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8804    2.2331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6709    1.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    1.1943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    3.0357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2894    3.6023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992    3.2718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7084    4.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    2.7053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5089    2.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8717    0.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4715    0.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2620    0.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -0.5053    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  6  0  0  0
  6  7  2  0  0  0  0
  8  7  1  6  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 11 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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  2  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  1  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  6  0  0  0
 24 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 37 40  2  0  0  0  0
 19 40  1  0  0  0  0
  6 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0316762

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C[C@@H]2[C@@H](C3=C2C2=C(OC)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(OC)C=C2CC[C@@H]3N(C)C(C)=O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H35NO11/c1-11(31)29(2)14-7-6-12-8-16(37-4)26(40-28-25(35)24(34)23(33)17(10-30)39-28)27(38-5)18(12)19-13-9-15(36-3)22(32)20(13)21(14)19/h8-9,13-14,17,20,23-25,28,30,33-35H,6-7,10H2,1-5H3/t13-,14-,17+,20-,23+,24-,25+,28-/m0/s1

> <INCHI_KEY>
USTNADWJYOCTQA-VSOSOMBCSA-N

> <FORMULA>
C28H35NO11

> <MOLECULAR_WEIGHT>
561.584

> <EXACT_MASS>
561.221010951

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
57.241446450996236

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-methyl-N-[(10S,12S,16R)-3,5,14-trimethoxy-13-oxo-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0^{2,7}.0^{12,16}]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide

> <JCHEM_LOGP>
-1.2886455276666673

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.178240230801187

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.19784733982689

> <JCHEM_PKA_STRONGEST_BASIC>
-0.9935616109701252

> <JCHEM_POLAR_SURFACE_AREA>
164.45

> <JCHEM_REFRACTIVITY>
140.96000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-methyl-N-[(10S,12S,16R)-3,5,14-trimethoxy-13-oxo-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0^{2,7}.0^{12,16}]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      13.668   0.187   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      12.328   0.945   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      11.001   0.163   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.588   0.776   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.568  -0.377   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.241  -1.159   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.023  -2.486   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.350  -1.704   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.854  -1.370   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      12.007  -2.390   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.474  -3.924   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       8.531  -5.044   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       8.090  -6.519   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.029  -4.688   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.470  -3.212   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      11.087  -5.807   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.006  -4.391   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.726  -3.535   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.597  -2.001   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.122  -1.560   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.766  -0.062   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.290   0.379   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.934   1.877   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.885   0.996   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.529   2.494   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.648   3.552   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.124   3.111   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.243   4.168   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.719   3.728   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       9.075   2.229   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       6.887   5.667   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       8.007   6.724   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       5.412   6.107   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       5.056   7.606   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       4.292   5.050   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       2.817   5.491   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.361   0.555   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       6.480   1.613   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       7.956   1.172   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.717  -0.943   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7   40                                                  
CONECT    7    6    8   11                                                  
CONECT    8    7    5    9                                                  
CONECT    9    8    3   10                                                  
CONECT   10    9                                                            
CONECT   11    7   12   17                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   11   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   40                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21   25   37                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   35                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   26   36                                                  
CONECT   36   35                                                            
CONECT   37   24   38   40                                                  
CONECT   38   37   39                                                       
CONECT   39   38                                                            
CONECT   40   37   19    6                                                  
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₅NO₁₁

Average Mass

561.5840 Da

Monoisotopic Mass

561.22101 Da

IUPAC Name

N-methyl-N-[(10S,12S,16R)-3,5,14-trimethoxy-13-oxo-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0^{2,7}.0^{12,16}]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=C[C@@H]2[C@@H](C3=C2C2=C(OC)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(OC)C=C2CC[C@@H]3N(C)C(C)=O)C1=O

InChI Identifier

InChI=1S/C28H35NO11/c1-11(31)29(2)14-7-6-12-8-16(37-4)26(40-28-25(35)24(34)23(33)17(10-30)39-28)27(38-5)18(12)19-13-9-15(36-3)22(32)20(13)21(14)19/h8-9,13-14,17,20,23-25,28,30,33-35H,6-7,10H2,1-5H3/t13-,14-,17+,20-,23+,24-,25+,28-/m0/s1

InChI Key

USTNADWJYOCTQA-VSOSOMBCSA-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
Colchicum autumnale	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lumicolchicine alkaloids. These are alkaloids with a structure based on the tetracyclic lumicolchicine skeleton. They can derive from a colchicine precursor where the cycloheptatriene ring is replaced with a bicyclo[3.2.0]Hepta-2,6-diene ring system.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Lumicolchicine alkaloids

Sub Class

Not Available

Direct Parent

Lumicolchicine alkaloids

Alternative Parents

Substituents

Lumicolchicine alkaloid skeleton
Phenolic glycoside
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Anisole
Alkyl aryl ether
Monosaccharide
Oxane
Benzenoid
Acetamide
Tertiary carboxylic acid amide
Secondary alcohol
Carboxamide group
Ketone
Organoheterocyclic compound
Polyol
Acetal
Carboxylic acid derivative
Oxacycle
Ether
Primary alcohol
Organic oxide
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organic oxygen compound
Organic nitrogen 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	-1.3	ChemAxon
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	-0.99	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	164.45 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	140.96 m³·mol⁻¹	ChemAxon
Polarizability	57.24 Å³	ChemAxon
Number of Rings	5	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

162877239

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide (NP0316762)

MOL for NP0316762 (n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide)

3D MOL for NP0316762 (n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide)

3D SDF for NP0316762 (n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide)

3D-SDF for NP0316762 (n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide)

PDB for NP0316762 (n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide)

3D PDB for NP0316762 (n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide)

SMILES for NP0316762 (n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide)

INCHI for NP0316762 (n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide)

Structure for NP0316762 (n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide)

3D Structure for NP0316762 (n-methyl-n-[(10s,12s,16r)-3,5,14-trimethoxy-13-oxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]acetamide)