NP-MRD: Showing NP-Card for (7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone (NP0145655)

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Record Information

Version

2.0

Created at

2022-09-02 00:54:06 UTC

Updated at

2022-09-02 00:54:06 UTC

NP-MRD ID

NP0145655

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone

Description

Cardinalin 6 belongs to the class of organic compounds known as dinaphtho[2,1-b;2',3'-d]furans. These are organic aromatic compounds that contain two naphthalene moieties fused to each other through a furan ring to form a dinaphtho[2,1-b;2',3'-d]furan skeleton. (7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone is found in Cortinarius cardinalis. Based on a literature review a small amount of articles have been published on Cardinalin 6.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022202542D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309022202542D          

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    5.6652   -6.9861    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3570   -7.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9301   -7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5301   -7.3069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2345   -8.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3449   -7.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6405   -6.4076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4554   -6.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1213   -5.7665    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  2  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 15 28  2  0  0  0  0
 28 29  1  0  0  0  0
  3 29  2  0  0  0  0
 13 29  1  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 21 35  1  0  0  0  0
  9 36  1  0  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  1  0  0  0
 39 41  1  0  0  0  0
  8 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0145655

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2C(OC3=C2C(=O)C2=C(O)C4=C(C[C@H](C)O[C@@H]4C)C(O)=C2C3=O)=C2C(=O)C3=C(C[C@H](C)O[C@@H]3C)C(=O)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C31H26O10/c1-9-6-13-17(11(3)39-9)26(34)19-15(24(13)32)8-16(38-5)20-23-28(36)22-21(29(37)31(23)41-30(19)20)25(33)14-7-10(2)40-12(4)18(14)27(22)35/h8-12,33,35H,6-7H2,1-5H3/t9-,10-,11+,12+/m0/s1

> <INCHI_KEY>
KZAPENNZKGMMEB-NNYUYHANSA-N

> <FORMULA>
C31H26O10

> <MOLECULAR_WEIGHT>
558.539

> <EXACT_MASS>
558.152597037

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
59.60522384555194

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(7R,9S,21R,23S)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0^{2,15}.0^{4,13}.0^{6,11}.0^{18,27}.0^{20,25}]nonacosa-1(29),2(15),4(13),5,11,17,20(25),27-octaene-3,14,19,26-tetrone

> <ALOGPS_LOGP>
3.70

> <JCHEM_LOGP>
4.3159896086666665

> <ALOGPS_LOGS>
-3.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.577694270484404

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.74099637577185

> <JCHEM_PKA_STRONGEST_BASIC>
-3.126414179463177

> <JCHEM_POLAR_SURFACE_AREA>
149.57

> <JCHEM_REFRACTIVITY>
146.4802

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.47e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(7R,9S,21R,23S)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0^{2,15}.0^{4,13}.0^{6,11}.0^{18,27}.0^{20,25}]nonacosa-1(29),2(15),4(13),5,11,17,20(25),27-octaene-3,14,19,26-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       3.165  -8.138   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.644  -7.897   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.675  -9.094   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.846  -8.853   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.815 -10.049   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.336  -9.808   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -3.888  -8.371   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -4.305 -11.005   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.754 -12.443   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.233 -12.684   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.681 -14.122   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.263 -11.487   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.258 -11.728   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.096 -13.020   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.584 -12.621   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.875 -13.460   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.795 -14.998   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.248 -12.761   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.539 -13.600   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.458 -15.138   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       7.911 -12.901   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.992 -11.363   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.700 -10.524   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.781  -8.986   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       5.328 -11.223   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.037 -10.384   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.118  -8.846   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       2.665 -11.083   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.227 -10.531   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.364 -10.664   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.445  -9.126   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      10.656 -11.503   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      10.575 -13.041   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      11.866 -13.880   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.203 -13.740   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -4.723 -13.640   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.171 -15.077   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -6.244 -13.399   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -6.796 -11.961   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -8.317 -11.720   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -5.826 -10.764   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   29                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   41                                                  
CONECT    9    8   10   36                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    5   13                                                  
CONECT   13   12   14   29                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   28                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   25                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   35                                                  
CONECT   22   21   23   30                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   18   26                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   15   29                                                  
CONECT   29   28    3   13                                                  
CONECT   30   22   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   21                                                       
CONECT   36    9   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39    8                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₂₆O₁₀

Average Mass

558.5390 Da

Monoisotopic Mass

558.15260 Da

IUPAC Name

(7R,9S,21R,23S)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0^{2,15}.0^{4,13}.0^{6,11}.0^{18,27}.0^{20,25}]nonacosa-1(29),2(15),4(13),5,11,17,20(25),27-octaene-3,14,19,26-tetrone

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=C2C(OC3=C2C(=O)C2=C(O)C4=C(C[C@H](C)O[C@@H]4C)C(O)=C2C3=O)=C2C(=O)C3=C(C[C@H](C)O[C@@H]3C)C(=O)C2=C1

InChI Identifier

InChI=1S/C31H26O10/c1-9-6-13-17(11(3)39-9)26(34)19-15(24(13)32)8-16(38-5)20-23-28(36)22-21(29(37)31(23)41-30(19)20)25(33)14-7-10(2)40-12(4)18(14)27(22)35/h8-12,33,35H,6-7H2,1-5H3/t9-,10-,11+,12+/m0/s1

InChI Key

KZAPENNZKGMMEB-NNYUYHANSA-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
Cortinarius cardinalis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dinaphtho[2,1-b;2',3'-d]furans. These are organic aromatic compounds that contain two naphthalene moieties fused to each other through a furan ring to form a dinaphtho[2,1-b;2',3'-d]furan skeleton.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthofurans

Sub Class

Dinaphthofurans

Direct Parent

Dinaphtho[2,1-b;2',3'-d]furans

Alternative Parents

Substituents

Dinaphtho[2,1-b;2',3'-d]furan
Isochromanequinone
Naphthopyranone
Naphthopyran
Dibenzofuran
1-naphthol
Benzopyran
Isochromane
2-benzopyran
Naphthalene
Benzofuran
Anisole
Hydroquinone
Phenol ether
Pyranone
Phenol
Alkyl aryl ether
Pyran
Benzenoid
Heteroaromatic compound
Furan
Vinylogous acid
Oxacycle
Ether
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Organic oxide
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	3.7	ALOGPS
logP	4.32	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	7.74	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	149.57 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	146.48 m³·mol⁻¹	ChemAxon
Polarizability	59.61 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

8682432

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10507031

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone (NP0145655)

MOL for NP0145655 ((7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone)

3D MOL for NP0145655 ((7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone)

3D SDF for NP0145655 ((7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone)

3D-SDF for NP0145655 ((7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone)

PDB for NP0145655 ((7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone)

3D PDB for NP0145655 ((7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone)

SMILES for NP0145655 ((7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone)

INCHI for NP0145655 ((7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone)

Structure for NP0145655 ((7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone)

3D Structure for NP0145655 ((7r,9s,21r,23s)-5,12-dihydroxy-29-methoxy-7,9,21,23-tetramethyl-8,16,22-trioxaheptacyclo[15.12.0.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(17),2(15),4,6(11),12,18(27),20(25),28-octaene-3,14,19,26-tetrone)