NP-MRD: Showing NP-Card for 7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione (NP0197605)

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Record Information

Version

2.0

Created at

2022-09-04 15:54:06 UTC

Updated at

2022-09-04 15:54:06 UTC

NP-MRD ID

NP0197605

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione

Description

CERCOSPORIN belongs to the class of organic compounds known as perylenequinones. These are heterocyclic compounds characterized by two 8-hydroxy-1,4-dihydronaphthalen-1-one moieties joined together one or two CC-bonds. 7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione is found in Cercospora beticola. 7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione was first documented in 2021 (PMID: 34616379). Based on a literature review a small amount of articles have been published on CERCOSPORIN (PMID: 35259559) (PMID: 34647457) (PMID: 34323722) (PMID: 33992112).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042217542D          

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  Mrv1652309042217542D          

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  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  1  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  3 30  2  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
 29 35  2  0  0  0  0
  6 35  1  0  0  0  0
 11 35  1  0  0  0  0
 28 36  2  0  0  0  0
 17 36  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 10 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0197605

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(CC(C)O)C2=C3C(C(=O)C=C4OCOC5=CC(=O)C6=C(O)C(OC)=C(C[C@@H](C)O)C2=C6C5=C34)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3/t10-,11?/m1/s1

> <INCHI_KEY>
MXLWQNCWIIZUQT-NFJWQWPMSA-N

> <FORMULA>
C29H26O10

> <MOLECULAR_WEIGHT>
534.517

> <EXACT_MASS>
534.152597037

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
53.29727556979395

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2R)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0^{2,11}.0^{3,8}.0^{4,22}.0^{18,23}]tricosa-1,3,5,7,10,15,18,20,22-nonaene-9,17-dione

> <JCHEM_LOGP>
2.750303413

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.897026606360996

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.294915139600336

> <JCHEM_PKA_STRONGEST_BASIC>
3.669225159701786

> <JCHEM_POLAR_SURFACE_AREA>
151.98

> <JCHEM_REFRACTIVITY>
143.47550000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2R)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0^{2,11}.0^{3,8}.0^{4,22}.0^{18,23}]tricosa-1,3,5,7,10,15,18,20,22-nonaene-9,17-dione

> <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       5.374   9.205   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.036   8.444   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.026   6.904   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.354   6.125   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.693   6.887   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       5.345   4.586   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.673   3.807   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       8.012   4.568   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       6.663   2.267   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.426   1.712   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.996   2.284   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.657   1.523   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.418   0.002   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.309  -0.779   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.020   0.000   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.359  -0.761   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -0.010   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.339   2.319   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.677   1.557   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.329   3.859   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.657   4.637   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -3.996   3.876   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.010   4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.020   6.160   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.309   6.939   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.647   6.177   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -1.299   8.479   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       1.339   3.841   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.677   4.603   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.687   6.143   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.359   6.921   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.368   8.461   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.040   9.240   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.707   9.223   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       4.006   3.824   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.329   2.301   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       3.458  -1.134   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       4.995  -1.029   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       5.870   0.238   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   30                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   35                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   39                                                  
CONECT   11   10   12   35                                                  
CONECT   12   11   13   36                                                  
CONECT   13   12   14   37                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   36                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   23   29   36                                                  
CONECT   29   28   30   35                                                  
CONECT   30   29    3   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   29    6   11                                                  
CONECT   36   28   17   12                                                  
CONECT   37   13   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   10                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₂₆O₁₀

Average Mass

534.5170 Da

Monoisotopic Mass

534.15260 Da

IUPAC Name

7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2R)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0^{2,11}.0^{3,8}.0^{4,22}.0^{18,23}]tricosa-1,3,5,7,10,15,18,20,22-nonaene-9,17-dione

Traditional Name

7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2R)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0^{2,11}.0^{3,8}.0^{4,22}.0^{18,23}]tricosa-1,3,5,7,10,15,18,20,22-nonaene-9,17-dione

CAS Registry Number

Not Available

SMILES

COC1=C(CC(C)O)C2=C3C(C(=O)C=C4OCOC5=CC(=O)C6=C(O)C(OC)=C(C[C@@H](C)O)C2=C6C5=C34)=C1O

InChI Identifier

InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3/t10-,11?/m1/s1

InChI Key

MXLWQNCWIIZUQT-NFJWQWPMSA-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
Cercospora beticola	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as perylenequinones. These are heterocyclic compounds characterized by two 8-hydroxy-1,4-dihydronaphthalen-1-one moieties joined together one or two CC-bonds.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Perylenequinones

Sub Class

Not Available

Direct Parent

Perylenequinones

Alternative Parents

Substituents

Perylenequinone
Phenanthrol
Anthracene
Phenanthrene
2-naphthol
1-naphthol
Anisole
Alkyl aryl ether
Vinylogous ester
Vinylogous acid
Secondary alcohol
Acetal
Organoheterocyclic compound
Oxacycle
Ether
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen 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	2.75	ChemAxon
pKa (Strongest Acidic)	7.29	ChemAxon
pKa (Strongest Basic)	3.67	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	151.98 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	143.48 m³·mol⁻¹	ChemAxon
Polarizability	53.3 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	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

C00002801

Chemspider ID

68025458

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

90471707

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Huang K, Tang J, Zou Y, Sun X, Lan J, Wang W, Xu P, Wu X, Ma R, Wang Q, Wang Z, Liu J: Whole Genome Sequence of Alternaria alternata, the Causal Agent of Black Spot of Kiwifruit. Front Microbiol. 2021 Sep 20;12:713462. doi: 10.3389/fmicb.2021.713462. eCollection 2021. [PubMed:34616379 ]
Liu M, Zhang Y, Yuan Z, Lu L, Liu X, Zhu X, Wang L, Liu C, Rao Y: Cercosporin-bioinspired photoinactivation of harmful cyanobacteria under natural sunlight via bifunctional mechanisms. Water Res. 2022 May 15;215:118242. doi: 10.1016/j.watres.2022.118242. Epub 2022 Mar 2. [PubMed:35259559 ]
Zhang Y, Xia M, Li M, Ping Q, Yuan Z, Liu X, Yin H, Huang S, Rao Y: Energy-Transfer-Mediated Photocatalysis by a Bioinspired Organic Perylenephotosensitizer HiBRCP. J Org Chem. 2021 Nov 5;86(21):15284-15297. doi: 10.1021/acs.joc.1c01876. Epub 2021 Oct 14. [PubMed:34647457 ]
Wu Y, Lu L, Zhang Y, Yuan Z, Yang L, Wang L, Rao Y: A bioinspired cercosporin/polymethylmethacrylate photocatalyst with high efficiency for decontamination of pharmaceuticals and pathogens. J Hazard Mater. 2021 Oct 5;419:126555. doi: 10.1016/j.jhazmat.2021.126555. Epub 2021 Jul 1. [PubMed:34323722 ]
Zhou T, Yu S, Hu Y, Zhang Y, Song Y, Chu J, Liu C, Rao Y: Enhanced cercosporin production by co-culturing Cercospora sp. JNU001 with leaf-spot-disease-related endophytic bacteria. Microb Cell Fact. 2021 May 15;20(1):100. doi: 10.1186/s12934-021-01587-2. [PubMed:33992112 ]
LOTUS database [Link]

Showing NP-Card for 7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione (NP0197605)

MOL for NP0197605 (7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione)

3D MOL for NP0197605 (7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione)

3D SDF for NP0197605 (7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione)

3D-SDF for NP0197605 (7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione)

PDB for NP0197605 (7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione)

3D PDB for NP0197605 (7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione)

SMILES for NP0197605 (7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione)

INCHI for NP0197605 (7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione)

Structure for NP0197605 (7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione)

3D Structure for NP0197605 (7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2r)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione)