NP-MRD: Showing NP-Card for 13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one (NP0272159)

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Record Information

Version

2.0

Created at

2022-09-08 18:41:19 UTC

Updated at

2022-09-08 18:41:19 UTC

NP-MRD ID

NP0272159

Secondary Accession Numbers

None

Natural Product Identification

Common Name

13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one

Description

13,16-Dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]Hexadeca-1(12),13,15-trien-2-one belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. 13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one is found in Tricholoma terreum. Based on a literature review very few articles have been published on 13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]Hexadeca-1(12),13,15-trien-2-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 46  0  0  0  0  0  0  0  0999 V2000
    5.3377   -0.1194   -1.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3442    0.6699   -0.5851 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1530    0.0564   -0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9537   -1.2886   -0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7936   -1.8951    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6963   -3.2716   -0.2488 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7285   -1.2031    0.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9544    0.1365    0.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1482    0.7666    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693    2.1191    0.6311 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0489    1.1032    1.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7468    1.9076    0.5677 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2638    2.2292   -0.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4810    2.9941    1.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1818    1.8452    0.9489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9615    1.4289   -0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124    0.0836   -0.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7050   -1.0042    0.2836 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2104   -1.3788    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4342   -0.9932    1.6169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463   -1.9607    0.6659 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4341   -2.0002    0.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0764   -3.0238    1.7196 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2677    0.4152   -1.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9304   -0.5359   -2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6011   -1.0063   -0.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7632   -1.8363   -0.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4646   -3.7249   -0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1850    2.6062    0.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5080    0.5904    2.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    1.8620    2.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467    3.2361   -0.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4650    1.5573   -1.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    2.3788   -1.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4493    1.3280    1.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0153    1.2292    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0320    2.1496   -1.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9313   -0.1152   -1.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3568    0.0569   -0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3819   -2.3777    0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8044   -0.6242    0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5080   -1.3817   -0.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3167   -3.0090    0.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
  8  9  2  0
  9 10  1  0
  9  3  1  0
 22  7  1  0
 15 12  1  0
 21 18  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  6 28  1  0
 11 30  1  0
 11 31  1  0
 13 32  1  0
 13 33  1  0
 13 34  1  0
 15 35  1  1
 16 36  1  0
 16 37  1  0
 17 38  1  0
 17 39  1  0
 19 40  1  0
 19 41  1  0
 19 42  1  0
 21 43  1  1
 10 29  1  0
M  END


  Mrv1652309082220412D          

 23 26  0  0  0  0            999 V2000
    4.3357    4.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7482    3.4052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3357    2.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5107    2.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0982    1.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732    1.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5107    1.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3357    1.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7482    1.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5732    1.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0031    0.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2581   -0.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9726    0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101   -0.6209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0031   -0.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3357   -1.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5107   -1.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8433   -0.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077   -1.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0363   -0.6209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5883   -0.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8433    0.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758    1.2617    0.0000 O   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  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  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
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0272159

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=C2C(CC3(C)OC3CCC3(C)OC3C2=O)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C17H20O6/c1-16-5-4-11-17(2,22-11)7-8-12(14(20)15(16)23-16)9(18)6-10(21-3)13(8)19/h6,11,15,18-19H,4-5,7H2,1-3H3

> <INCHI_KEY>
KLHZTHGOEWAZJD-UHFFFAOYSA-N

> <FORMULA>
C17H20O6

> <MOLECULAR_WEIGHT>
320.341

> <EXACT_MASS>
320.125988364

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
32.006482729352385

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0^{3,5}.0^{8,10}]hexadeca-1(16),12,14-trien-2-one

> <JCHEM_LOGP>
2.4215662389999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.3913377383928

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.295899244998923

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9084028182310644

> <JCHEM_POLAR_SURFACE_AREA>
91.82

> <JCHEM_REFRACTIVITY>
81.2966

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0^{3,5}.0^{8,10}]hexadeca-1(16),12,14-trien-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       8.093   7.690   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       8.863   6.356   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       8.093   5.023   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.553   5.023   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.783   3.689   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.243   3.689   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.553   2.355   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.093   2.355   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.863   3.689   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      10.403   3.689   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.339   1.450   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.815  -0.015   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.149   0.755   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      10.846  -1.159   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.339  -1.479   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.093  -2.384   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.553  -2.384   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.307  -1.479   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.681  -2.886   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.801  -1.159   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.832  -0.015   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.307   1.450   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.062   2.355   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   22                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8    3   10                                                  
CONECT   10    9                                                            
CONECT   11    8   12                                                       
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   12   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   18   22                                                  
CONECT   22   21    7   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₂₀O₆

Average Mass

320.3410 Da

Monoisotopic Mass

320.12599 Da

IUPAC Name

13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0^{3,5}.0^{8,10}]hexadeca-1(16),12,14-trien-2-one

Traditional Name

13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0^{3,5}.0^{8,10}]hexadeca-1(16),12,14-trien-2-one

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=C2C(CC3(C)OC3CCC3(C)OC3C2=O)=C1O

InChI Identifier

InChI=1S/C17H20O6/c1-16-5-4-11-17(2,22-11)7-8-12(14(20)15(16)23-16)9(18)6-10(21-3)13(8)19/h6,11,15,18-19H,4-5,7H2,1-3H3

InChI Key

KLHZTHGOEWAZJD-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
Tricholoma terreum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Anisole
Aryl ketone
Aryl alkyl ketone
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Vinylogous acid
Ketone
Dialkyl ether
Oxirane
Ether
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organooxygen compound
Organic oxygen 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	2.42	ChemAxon
pKa (Strongest Acidic)	9.3	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	91.82 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	81.3 m³·mol⁻¹	ChemAxon
Polarizability	32.01 Å³	ChemAxon
Number of Rings	4	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

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

78167891

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one (NP0272159)

MOL for NP0272159 (13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one)

3D MOL for NP0272159 (13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one)

3D SDF for NP0272159 (13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one)

3D-SDF for NP0272159 (13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one)

PDB for NP0272159 (13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one)

3D PDB for NP0272159 (13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one)

SMILES for NP0272159 (13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one)

INCHI for NP0272159 (13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one)

Structure for NP0272159 (13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one)

3D Structure for NP0272159 (13,16-dihydroxy-14-methoxy-5,10-dimethyl-4,9-dioxatetracyclo[10.4.0.0³,⁵.0⁸,¹⁰]hexadeca-1(16),12,14-trien-2-one)