NP-MRD: Showing NP-Card for 2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione (NP0164401)

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Record Information

Version

2.0

Created at

2022-09-02 23:16:18 UTC

Updated at

2022-09-02 23:16:18 UTC

NP-MRD ID

NP0164401

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione

Description

2-Hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]Hexadeca-1(10),2,6,8-tetraene-5,13-dione belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione is found in Amentotaxus formosana. 2-Hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]Hexadeca-1(10),2,6,8-tetraene-5,13-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 43  0  0  0  0  0  0  0  0999 V2000
    4.9248    0.6637    0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5281    0.0816    0.2796 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5212   -1.3701    0.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9223   -1.9498    1.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884   -1.9743   -0.5923 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2270   -1.0765   -1.3689 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8557   -0.9111   -0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1326   -1.8387   -0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3607   -1.4346   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6547   -0.0990    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6435    0.8003   -0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8850    2.1471    0.0454 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5801    0.4166   -0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7832    1.2087   -1.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105    0.2437   -1.1070 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9685    0.3578    0.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7993    1.1444    1.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6426    1.3149   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9048   -0.7410    0.9331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0421   -0.4347    1.3798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5587   -2.1211    0.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3730   -2.4564    0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6511   -0.1775    0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958    1.3811   -0.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1328    1.1909    1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9281    0.6182    1.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1649   -1.3418   -2.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0348   -2.8970   -0.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1790    2.8373   -0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104    1.7714   -1.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9852    1.9086   -0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6555    0.5120   -1.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1131    0.6590    2.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8182    1.1409    2.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5730    2.2018    1.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7184    1.2699   -0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3925    0.9933   -1.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2596    2.3427   -0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3128   -2.8735    0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1676   -3.5088    0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 15  1  0
 15 14  1  0
 14 13  1  0
 13 11  2  0
 11 12  1  0
 11 10  1  0
 10  9  2  0
  9 22  1  0
 22 21  2  0
 21 19  1  0
 19 20  2  0
 19 16  1  0
 16 17  1  0
 16 18  1  0
  9  8  1  0
  8  7  2  0
  7  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  2  0
  3  2  1  0
  6 15  1  0
  7 13  1  0
 16 10  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  1
 15 32  1  6
 14 30  1  0
 14 31  1  0
 12 29  1  0
 22 40  1  0
 21 39  1  0
 17 33  1  0
 17 34  1  0
 17 35  1  0
 18 36  1  0
 18 37  1  0
 18 38  1  0
  8 28  1  0
  6 27  1  6
M  END


  Mrv1533004191513122D          

 22 25  0  0  0  0            999 V2000
   -2.7310   -3.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1623   -2.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3445   -3.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7468   -3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0213   -3.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7560   -3.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052   -4.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3841   -2.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2349   -2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8630   -1.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6403   -1.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7895   -2.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5668   -2.9503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1614   -3.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6741   -3.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9122   -3.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4576   -1.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1705   -2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9882   -2.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859   -1.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3115   -2.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556   -1.7381    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0164401

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1C2CC3=C(O)C4=C(C=CC(=O)C4(C)C)C=C3C2OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H18O4/c1-8-10-7-11-12(16(10)22-17(8)21)6-9-4-5-13(19)18(2,3)14(9)15(11)20/h4-6,8,10,16,20H,7H2,1-3H3

> <INCHI_KEY>
JRSDIIUIWFLSLP-UHFFFAOYSA-N

> <FORMULA>
C18H18O4

> <MOLECULAR_WEIGHT>
298.338

> <EXACT_MASS>
298.12050906

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
31.68472747532768

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione

> <ALOGPS_LOGP>
3.09

> <JCHEM_LOGP>
3.595872648333333

> <ALOGPS_LOGS>
-3.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.781353465340958

> <JCHEM_PKA_STRONGEST_BASIC>
-5.327086473637266

> <JCHEM_POLAR_SURFACE_AREA>
63.6

> <JCHEM_REFRACTIVITY>
82.54829999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.37e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0      -5.098  -6.539   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.036  -5.424   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.510  -5.627   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.394  -6.689   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.040  -5.956   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.411  -6.472   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.690  -7.987   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.584  -5.473   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.305  -3.959   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.478  -2.960   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.929  -3.476   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.207  -4.991   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.658  -5.507   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.035  -5.990   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.992  -7.196   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.569  -7.458   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.854  -3.443   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.318  -4.441   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.845  -4.238   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -2.960  -3.176   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -4.315  -3.909   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -5.704  -3.244   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4   19                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   18                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   14                                                  
CONECT    9    8   10   17                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    8   15   16                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    9   18                                                       
CONECT   18   17    5   19                                                  
CONECT   19   18    3   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20    2   22                                                  
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₁₈O₄

Average Mass

298.3380 Da

Monoisotopic Mass

298.12051 Da

IUPAC Name

2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione

Traditional Name

2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione

CAS Registry Number

Not Available

SMILES

CC1C2CC3=C(O)C4=C(C=CC(=O)C4(C)C)C=C3C2OC1=O

InChI Identifier

InChI=1S/C18H18O4/c1-8-10-7-11-12(16(10)22-17(8)21)6-9-4-5-13(19)18(2,3)14(9)15(11)20/h4-6,8,10,16,20H,7H2,1-3H3

InChI Key

JRSDIIUIWFLSLP-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
Amentotaxus formosana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Naphthalenes

Sub Class

Not Available

Direct Parent

Naphthalenes

Alternative Parents

Substituents

Naphthalene
Indane
1-hydroxy-4-unsubstituted benzenoid
Gamma butyrolactone
Tetrahydrofuran
Cyclic ketone
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
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	3.09	ALOGPS
logP	3.6	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	8.78	ChemAxon
pKa (Strongest Basic)	-5.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	63.6 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	82.55 m³·mol⁻¹	ChemAxon
Polarizability	31.68 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

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DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

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PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione (NP0164401)

MOL for NP0164401 (2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione)

3D MOL for NP0164401 (2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione)

3D SDF for NP0164401 (2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione)

3D-SDF for NP0164401 (2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione)

PDB for NP0164401 (2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione)

3D PDB for NP0164401 (2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione)

SMILES for NP0164401 (2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione)

INCHI for NP0164401 (2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione)

Structure for NP0164401 (2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione)

3D Structure for NP0164401 (2-hydroxy-4,4,14-trimethyl-12-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-1,3(8),6,9-tetraene-5,13-dione)