NP-MRD: Showing NP-Card for 10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one (NP0293890)

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Record Information

Version

2.0

Created at

2022-09-10 02:09:15 UTC

Updated at

2022-09-10 02:09:15 UTC

NP-MRD ID

NP0293890

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one

Description

AC1MSEXH belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. 10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one is found in Exserohilum rostratum, Exserohilum turcicum and Microdochium bolleyi. AC1MSEXH is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    4.5354    1.4117   -2.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541    0.6996   -2.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6192   -0.0763   -2.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694   -0.8521   -2.2102 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1131   -1.9037   -1.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946   -1.9052   -0.2365 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3928   -2.2732    1.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -2.0909    2.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1829   -2.8222    2.9887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835   -0.9706    1.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3942   -0.1575    0.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005    0.8622    0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3503    1.0416    1.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2534    2.0815    1.0819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0954    2.9278   -0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184    0.2045    2.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5867    0.4520    3.2406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8696   -0.1189    3.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6299   -0.8110    2.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7946   -1.6396    3.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7627   -0.4078   -0.1785 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6539   -0.0768   -1.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1527    2.3972   -3.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5152    1.5405   -2.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7344    0.7799   -3.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1624    0.0119   -1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0516    1.4422   -1.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388   -0.7941   -3.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1638    0.6020   -3.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9905   -1.4132   -2.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036   -1.5108   -0.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530   -2.8726   -1.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1460   -2.4704   -0.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1346    1.4836   -0.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7124    3.8300    0.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3120    2.3867   -0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0343    3.2899   -0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4110    0.4941    2.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8186   -1.1556    2.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4581   -0.1225    3.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5601   -1.5045    4.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6845    0.0105    0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 19  2  0
 19 20  1  0
 19 16  1  0
 16 17  1  0
 17 18  1  0
 16 13  2  0
 13 14  1  0
 14 15  1  0
 13 12  1  0
 12 11  2  0
 11 21  1  0
 21 22  1  0
 22  4  1  0
 21  6  1  0
 11 10  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  6
  5 31  1  0
  5 32  1  0
  6 33  1  6
 20 41  1  0
 18 38  1  0
 18 39  1  0
 18 40  1  0
 15 35  1  0
 15 36  1  0
 15 37  1  0
 12 34  1  0
 21 42  1  1
M  END


  Mrv1533004191514552D          

 22 24  0  0  0  0            999 V2000
   -0.0148   -1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6864   -1.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4134   -1.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147   -1.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1752   -0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9765   -0.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3664    0.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1910    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5810    1.3045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6256   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4502   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8402    0.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8849   -0.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7095   -0.7735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0994   -0.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4949   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9295   -2.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5395   -2.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6703   -1.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2357   -0.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4111   -0.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784   -1.5066    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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0293890

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC1CC2OC(=O)C3=C(O)C(OC)=C(OC)C=C3C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3

> <INCHI_KEY>
VAYQNUBOZLPGDH-UHFFFAOYSA-N

> <FORMULA>
C16H20O6

> <MOLECULAR_WEIGHT>
308.33

> <EXACT_MASS>
308.125988364

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
32.54286355857974

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-8-one

> <ALOGPS_LOGP>
2.36

> <JCHEM_LOGP>
2.903701740333333

> <ALOGPS_LOGS>
-2.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.098873993575529

> <JCHEM_PKA_STRONGEST_BASIC>
-3.206718553683096

> <JCHEM_POLAR_SURFACE_AREA>
74.22000000000001

> <JCHEM_REFRACTIVITY>
78.36930000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.34e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-8-one

> <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      -0.028  -3.125   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.281  -2.313   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.638  -3.041   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.947  -2.230   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.060  -0.694   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.556  -0.327   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.284   1.030   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       7.823   1.078   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.551   2.435   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.635  -0.231   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.174  -0.183   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      10.902   1.174   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      10.985  -1.492   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.524  -1.444   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      13.252  -0.087   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.257  -2.849   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      11.068  -4.158   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      10.340  -5.515   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.718  -2.897   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.907  -1.588   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.367  -1.636   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.373  -2.812   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   22                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   21                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   20                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20                                                       
CONECT   20   19   10   21                                                  
CONECT   21   20    6   22                                                  
CONECT   22   21    4                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₀O₆

Average Mass

308.3300 Da

Monoisotopic Mass

308.12599 Da

IUPAC Name

10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-8-one

Traditional Name

10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-8-one

CAS Registry Number

Not Available

SMILES

CCCC1CC2OC(=O)C3=C(O)C(OC)=C(OC)C=C3C2O1

InChI Identifier

InChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3

InChI Key

VAYQNUBOZLPGDH-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
Exserohilum rostratum	LOTUS Database	35616633
Exserohilum turcicum	LOTUS Database	35616633
Microdochium bolleyi	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

2-benzopyrans

Direct Parent

2-benzopyrans

Alternative Parents

Substituents

2-benzopyran
Anisole
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Monosaccharide
Vinylogous acid
Oxolane
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Dialkyl ether
Ether
Oxacycle
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Organooxygen 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	2.36	ALOGPS
logP	2.9	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	10.1	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	74.22 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	78.37 m³·mol⁻¹	ChemAxon
Polarizability	32.54 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

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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

3533255

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 10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one (NP0293890)

MOL for NP0293890 (10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

3D MOL for NP0293890 (10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

3D SDF for NP0293890 (10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

3D-SDF for NP0293890 (10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

PDB for NP0293890 (10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

3D PDB for NP0293890 (10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

SMILES for NP0293890 (10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

INCHI for NP0293890 (10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

Structure for NP0293890 (10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)

3D Structure for NP0293890 (10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one)