NP-MRD: Showing NP-Card for 19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (NP0241956)

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Record Information

Version

2.0

Created at

2022-09-07 02:09:02 UTC

Updated at

2022-09-07 02:09:03 UTC

NP-MRD ID

NP0241956

Secondary Accession Numbers

None

Natural Product Identification

Common Name

19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione

Description

19,23,32-Trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]Dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. 19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione is found in Aspergillus foveolatus. 19,23,32-Trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]Dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161506102D          

 41 47  0  0  0  0            999 V2000
    8.0018    2.2031    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


  Mrv1533004161506102D          

 41 47  0  0  0  0            999 V2000
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    4.2315   -2.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546   -2.7676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7730   -2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0535   -1.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6602   -3.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2245   -2.6349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5119   -3.8744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9952   -4.5430    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  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
  6 32  1  0  0  0  0
 32 33  2  0  0  0  0
 30 34  1  0  0  0  0
 25 34  1  0  0  0  0
 34 35  1  0  0  0  0
 22 35  1  0  0  0  0
 35 36  1  0  0  0  0
 19 36  1  0  0  0  0
 36 37  2  0  0  0  0
 22 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 19 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0241956

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C=C1OC1=CC(=CC=C1O)C(O)C13SSC4(C(O)C5=COC=CC(OC2=O)C5N4C1=O)C(=O)N3C

> <INCHI_IDENTIFIER>
InChI=1S/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-8-7-17-20(14)29(27)25(35)26(28,40-41-27)21(31)12-3-5-15(30)18(9-12)38-19-10-13(23(33)39-17)4-6-16(19)36-2/h3-11,17,20-22,30-32H,1-2H3

> <INCHI_KEY>
UWWYWUMDYAWTKK-UHFFFAOYSA-N

> <FORMULA>
C27H22N2O10S2

> <MOLECULAR_WEIGHT>
598.6

> <EXACT_MASS>
598.071587264

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
55.61966393999791

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione

> <ALOGPS_LOGP>
2.07

> <JCHEM_LOGP>
1.9364601976666675

> <ALOGPS_LOGS>
-3.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.75577642014714

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.364178665856716

> <JCHEM_PKA_STRONGEST_BASIC>
-3.665327516190083

> <JCHEM_POLAR_SURFACE_AREA>
155.3

> <JCHEM_REFRACTIVITY>
145.61890000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.77e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0      14.937   4.112   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      14.694   2.592   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      13.255   2.042   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.061   3.038   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.608   2.497   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.335   0.961   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.550  -0.025   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.028   0.489   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      14.172  -0.614   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      14.988  -1.985   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.872  -3.057   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.276  -4.562   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      15.724  -5.086   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.835  -4.019   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      16.474  -2.498   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      17.616  -1.465   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      12.898  -5.093   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      12.094  -3.779   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      11.775  -6.099   0.000  0.00  0.00           C+0
HETATM   20  S   UNK     0      11.331  -7.959   0.000  0.00  0.00           S+0
HETATM   21  S   UNK     0       9.754  -8.081   0.000  0.00  0.00           S+0
HETATM   22  C   UNK     0       9.005  -6.688   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.357  -6.743   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.532  -8.044   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       6.730  -5.288   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.209  -4.965   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.434  -3.612   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.031  -2.191   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.525  -1.774   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.810  -2.648   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       8.567  -1.237   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       8.907   0.324   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       7.712   1.295   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       7.899  -4.263   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       9.249  -5.166   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0      10.776  -4.858   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      11.300  -3.410   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      10.566  -6.042   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      11.619  -4.918   0.000  0.00  0.00           O+0
HETATM   40  N   UNK     0      12.156  -7.232   0.000  0.00  0.00           N+0
HETATM   41  C   UNK     0      13.058  -8.480   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   32                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10   16                                                  
CONECT   16   15                                                            
CONECT   17   12   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   36   40                                             
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   35   38                                             
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   34                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   34                                                  
CONECT   31   30   32                                                       
CONECT   32   31    6   33                                                  
CONECT   33   32                                                            
CONECT   34   30   25   35                                                  
CONECT   35   34   22   36                                                  
CONECT   36   35   19   37                                                  
CONECT   37   36                                                            
CONECT   38   22   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   19   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₂₂N₂O₁₀S₂

Average Mass

598.6000 Da

Monoisotopic Mass

598.07159 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C=C1OC1=CC(=CC=C1O)C(O)C13SSC4(C(O)C5=COC=CC(OC2=O)C5N4C1=O)C(=O)N3C

InChI Identifier

InChI=1S/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-8-7-17-20(14)29(27)25(35)26(28,40-41-27)21(31)12-3-5-15(30)18(9-12)38-19-10-13(23(33)39-17)4-6-16(19)36-2/h3-11,17,20-22,30-32H,1-2H3

InChI Key

UWWYWUMDYAWTKK-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
Emericella foveolata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolactams

Sub Class

Not Available

Direct Parent

Macrolactams

Alternative Parents

Substituents

Macrolactam
Diaryl ether
Alpha-amino acid or derivatives
Epipolythiodioxopiperazine
Thiodioxopiperazine
Anisole
Dioxopiperazine
2,5-dioxopiperazine
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
N-methylpiperazine
N-alkylpiperazine
1,4-diazinane
Dithiazinane
Piperazine
Benzenoid
Tertiary carboxylic acid amide
Pyrrolidine
Secondary alcohol
Carboxamide group
Carboxylic acid ester
Lactam
Lactone
Organic disulfide
Oxacycle
Polyol
Monocarboxylic acid or derivatives
Ether
Organoheterocyclic compound
Carboxylic acid derivative
Azacycle
Organic oxygen compound
Organic oxide
Alcohol
Organic nitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Carbonyl group
Organonitrogen compound
Organooxygen 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	2.07	ALOGPS
logP	1.94	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	8.36	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	155.3 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	145.62 m³·mol⁻¹	ChemAxon
Polarizability	55.62 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

15596085

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (NP0241956)

MOL for NP0241956 (19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

3D MOL for NP0241956 (19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

3D SDF for NP0241956 (19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

3D-SDF for NP0241956 (19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

PDB for NP0241956 (19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

3D PDB for NP0241956 (19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

SMILES for NP0241956 (19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

INCHI for NP0241956 (19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

Structure for NP0241956 (19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)

3D Structure for NP0241956 (19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione)