NP-MRD: Showing NP-Card for 7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione (NP0271043)

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Record Information

Version

2.0

Created at

2022-09-08 17:12:00 UTC

Updated at

2022-09-08 17:12:00 UTC

NP-MRD ID

NP0271043

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione

Description

Crisamicin C, also known as CRS-C, belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others. 7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione is found in Micromonospora purpureochromogenes. Crisamicin C is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161514482D          

 45 53  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1533004161514482D          

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    2.2347   -0.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0405   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2901    0.3155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967   -1.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1529   -1.6895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3472   -1.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034   -2.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6538   -3.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7092   -2.2988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9587   -1.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -1.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6182   -0.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2275    0.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4025   -0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414   -2.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2918   -2.8299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9852   -1.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794   -1.6114    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  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
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 30 41  1  0  0  0  0
 36 41  1  0  0  0  0
 32 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 27 44  1  0  0  0  0
 44 45  2  0  0  0  0
 23 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0271043

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC2CC(=O)OC2C2=C1C(=O)C1=CC(=CC(O)=C1C2=O)C1=CC(O)=C2C(=O)C34OC3(C(C)OC3CC(=O)OC43)C(=O)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C32H22O13/c1-9-21-24(27-17(41-9)7-19(35)43-27)26(38)22-13(25(21)37)3-11(5-15(22)33)12-4-14-23(16(34)6-12)29(40)32-30-18(8-20(36)44-30)42-10(2)31(32,45-32)28(14)39/h3-6,9-10,17-18,27,30,33-34H,7-8H2,1-2H3

> <INCHI_KEY>
CHWSBZJOQBRSAL-UHFFFAOYSA-N

> <FORMULA>
C32H22O13

> <MOLECULAR_WEIGHT>
614.515

> <EXACT_MASS>
614.106040768

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
60.79389507895127

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione

> <ALOGPS_LOGP>
3.05

> <JCHEM_LOGP>
2.5049291116666668

> <ALOGPS_LOGS>
-3.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.8399929834118245

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.209736305933567

> <JCHEM_PKA_STRONGEST_BASIC>
-3.793934463695917

> <JCHEM_POLAR_SURFACE_AREA>
192.32999999999998

> <JCHEM_REFRACTIVITY>
145.94669999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.66e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-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      -5.998   2.018   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.464   0.550   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -7.968   0.220   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -8.434  -1.248   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.836  -1.884   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.665  -3.415   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0     -10.802  -4.453   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -8.156  -3.725   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -7.396  -2.386   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.892  -2.055   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.426  -0.587   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.922  -0.257   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -3.456   1.211   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -2.883  -1.394   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.379  -1.064   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.341  -2.201   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.807  -3.669   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.311  -3.999   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.777  -5.467   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.349  -2.862   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.853  -3.192   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -5.319  -4.660   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.163  -1.870   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.629  -0.403   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.133  -0.072   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       3.599   1.396   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       4.171  -1.210   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.676  -0.879   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.141   0.589   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       6.714  -2.016   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       7.752  -3.154   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.248  -3.484   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.286  -4.622   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.820  -6.089   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       8.790  -4.291   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       9.256  -2.823   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      10.659  -2.187   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      10.487  -0.657   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      11.625   0.381   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       8.979  -0.347   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       8.218  -1.686   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       4.744  -3.815   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       4.278  -5.283   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       3.706  -2.677   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       2.202  -3.008   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   11                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8    4   10                                                  
CONECT   10    9   11   21                                                  
CONECT   11   10    2   12                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   20                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   23                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   14   21                                                  
CONECT   21   20   10   22                                                  
CONECT   22   21                                                            
CONECT   23   16   24   45                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   44                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32   41                                             
CONECT   31   30   32                                                       
CONECT   32   31   30   33   42                                             
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   37   41                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   30   36                                                  
CONECT   42   32   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   27   45                                                  
CONECT   45   44   23                                                       
MASTER        0    0    0    0    0    0    0    0   45    0  106    0
END

View in JSmol

Synonyms

Value	Source
CRS-C	MeSH

Chemical Formula

C₃₂H₂₂O₁₃

Average Mass

614.5150 Da

Monoisotopic Mass

614.10604 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

CC1OC2CC(=O)OC2C2=C1C(=O)C1=CC(=CC(O)=C1C2=O)C1=CC(O)=C2C(=O)C34OC3(C(C)OC3CC(=O)OC43)C(=O)C2=C1

InChI Identifier

InChI=1S/C32H22O13/c1-9-21-24(27-17(41-9)7-19(35)43-27)26(38)22-13(25(21)37)3-11(5-15(22)33)12-4-14-23(16(34)6-12)29(40)32-30-18(8-20(36)44-30)42-10(2)31(32,45-32)28(14)39/h3-6,9-10,17-18,27,30,33-34H,7-8H2,1-2H3

InChI Key

CHWSBZJOQBRSAL-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
Micromonospora purpureochromogenes	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Lignan lactones

Sub Class

Not Available

Direct Parent

Lignan lactones

Alternative Parents

Substituents

Lignan lactone
Benzoisochromanequinone
Naphthopyranone
Naphthopyran
Naphthoquinone
Naphthalene
Tetralin
Furopyran
Quinone
Aryl ketone
Aryl alkyl ketone
1,4-dioxepane
Pyranone
1-hydroxy-4-unsubstituted benzenoid
Dioxepane
1-hydroxy-2-unsubstituted benzenoid
Pyran
Oxane
Benzenoid
Dicarboxylic acid or derivatives
Monosaccharide
Gamma butyrolactone
Vinylogous acid
Tetrahydrofuran
Furan
Carboxylic acid ester
Lactone
Ketone
Ether
Oxirane
Oxacycle
Dialkyl ether
Carboxylic acid derivative
Organoheterocyclic compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Organic oxygen 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	3.05	ALOGPS
logP	2.5	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	7.21	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	192.33 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	145.95 m³·mol⁻¹	ChemAxon
Polarizability	60.79 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	No	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

127651

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione (NP0271043)

MOL for NP0271043 (7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione)

3D MOL for NP0271043 (7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione)

3D SDF for NP0271043 (7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione)

3D-SDF for NP0271043 (7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione)

PDB for NP0271043 (7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione)

3D PDB for NP0271043 (7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione)

SMILES for NP0271043 (7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione)

INCHI for NP0271043 (7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione)

Structure for NP0271043 (7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione)

3D Structure for NP0271043 (7-hydroxy-5-{7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraen-5-yl}-17-methyl-12,16,18-trioxapentacyclo[8.7.1.0¹,¹⁰.0³,⁸.0¹¹,¹⁵]octadeca-3,5,7-triene-2,9,13-trione)