NP-MRD: Showing NP-Card for (2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one (NP0227075)

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Record Information

Version

2.0

Created at

2022-09-06 06:18:03 UTC

Updated at

2022-09-06 06:18:03 UTC

NP-MRD ID

NP0227075

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one

Description

(-)-Placodiolic acid belongs to the class of organic compounds known as acetophenones. These are organic compounds containing the acetophenone structure. (2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one is found in Rhizoplaca chrysoleuca. (2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one was first documented in 2019 (PMID: 31331101). Based on a literature review very few articles have been published on (-)-placodiolic acid.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062208182D          

 27 29  0  0  1  0            999 V2000
    2.1598    2.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7729    1.8326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0645   -0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0109   -0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1347   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    1.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
  3 27  1  0  0  0  0
M  END


  Mrv1652309062208182D          

 27 29  0  0  1  0            999 V2000
    2.1598    2.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7729    1.8326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0645   -0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0109   -0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1347   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046    1.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
  3 27  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0227075

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@]12CC(=O)C(C(C)=O)=C(O)[C@]1(C)C1=C(O)C(C(C)=O)=C(O)C(C)=C1O2

> <INCHI_IDENTIFIER>
InChI=1S/C19H20O8/c1-7-14(23)12(9(3)21)15(24)13-16(7)27-19(26-5)6-10(22)11(8(2)20)17(25)18(13,19)4/h23-25H,6H2,1-5H3/t18-,19-/m0/s1

> <INCHI_KEY>
TUENYOIQMXRNRF-OALUTQOASA-N

> <FORMULA>
C19H20O8

> <MOLECULAR_WEIGHT>
376.361

> <EXACT_MASS>
376.115817604

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
37.12766446283588

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,7S)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-one

> <JCHEM_LOGP>
2.956292577999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.122751354270715

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.4731828520257206

> <JCHEM_PKA_STRONGEST_BASIC>
-4.251608104941419

> <JCHEM_POLAR_SURFACE_AREA>
130.36

> <JCHEM_REFRACTIVITY>
95.16479999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S,7S)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       4.032   4.451   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.176   3.421   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.856   1.914   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.362   2.235   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.393   1.090   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       8.899   1.410   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.917  -0.374   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.947  -1.519   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.471  -2.984   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.454  -1.199   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.410  -0.695   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.935  -2.159   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.380   0.450   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.754  -0.957   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.840   0.450   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.810  -0.695   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.285  -2.159   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.303  -0.374   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.727  -1.519   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.251  -2.984   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.234  -1.199   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -0.173   1.090   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.679   1.410   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       0.858   2.235   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.382   3.699   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.364   1.914   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       3.610   2.820   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   13   27                                             
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   11                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    7   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    3   14   15                                             
CONECT   14   13                                                            
CONECT   15   13   16   26                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   18   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   15   27                                                  
CONECT   27   26    3                                                       
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

View in JSmol

Synonyms

Value	Source
(-)-Placodiolate	Generator

Chemical Formula

C₁₉H₂₀O₈

Average Mass

376.3610 Da

Monoisotopic Mass

376.11582 Da

IUPAC Name

(2S,7S)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-one

Traditional Name

(2S,7S)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,9,11-tetraen-5-one

CAS Registry Number

Not Available

SMILES

CO[C@]12CC(=O)C(C(C)=O)=C(O)[C@]1(C)C1=C(O)C(C(C)=O)=C(O)C(C)=C1O2

InChI Identifier

InChI=1S/C19H20O8/c1-7-14(23)12(9(3)21)15(24)13-16(7)27-19(26-5)6-10(22)11(8(2)20)17(25)18(13,19)4/h23-25H,6H2,1-5H3/t18-,19-/m0/s1

InChI Key

TUENYOIQMXRNRF-OALUTQOASA-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
Rhizoplaca chrysoleuca	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acetophenones. These are organic compounds containing the acetophenone structure.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Acetophenones

Direct Parent

Acetophenones

Alternative Parents

Substituents

Acetophenone
Coumaran
Aryl ketone
Aryl alkyl ketone
Ketal
Cyclohexenone
Vinylogous acid
Ketone
Cyclic ketone
Acetal
Enol
Polyol
Oxacycle
Organoheterocyclic compound
Organic oxide
Organic oxygen compound
Organooxygen compound
Aldehyde
Hydrocarbon derivative
Carbonyl group
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	2.96	ChemAxon
pKa (Strongest Acidic)	2.47	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	130.36 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	95.16 m³·mol⁻¹	ChemAxon
Polarizability	37.13 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

78443562

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101821330

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Lee J, Lee J, Kim GJ, Yang I, Wang W, Nam JW, Choi H, Nam SJ, Kang H: Mycousfurans A and B, Antibacterial Usnic Acid Congeners from the Fungus Mycosphaerella sp., Isolated from a Marine Sediment. Mar Drugs. 2019 Jul 19;17(7). pii: md17070422. doi: 10.3390/md17070422. [PubMed:31331101 ]
LOTUS database [Link]

Showing NP-Card for (2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one (NP0227075)

MOL for NP0227075 ((2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

3D MOL for NP0227075 ((2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

3D SDF for NP0227075 ((2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

3D-SDF for NP0227075 ((2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

PDB for NP0227075 ((2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

3D PDB for NP0227075 ((2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

SMILES for NP0227075 ((2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

INCHI for NP0227075 ((2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

Structure for NP0227075 ((2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)

3D Structure for NP0227075 ((2s,7s)-4,12-diacetyl-3,11,13-trihydroxy-7-methoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),3,9,11-tetraen-5-one)