NP-MRD: Showing NP-Card for 5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol (NP0308527)

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Record Information

Version

2.0

Created at

2022-09-11 02:20:59 UTC

Updated at

2022-09-11 02:20:59 UTC

NP-MRD ID

NP0308527

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol

Description

5-(6-Hydroxy-7,7-dimethyl-3a,4,5,6-tetrahydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol belongs to the class of organic compounds known as resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. 5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol is found in Morus alba, Morus cathayana and Morus wittiorum. Based on a literature review very few articles have been published on 5-(6-hydroxy-7,7-dimethyl-3a,4,5,6-tetrahydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
   -5.7358    0.0986   -0.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4179    0.3793   -0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2069    1.8881   -0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4065   -0.1686   -1.0584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1217   -0.2492   -0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9622   -0.4876    0.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6607   -1.1731    1.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4355   -0.3723    0.5895 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8223   -0.5047    0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685   -0.2902   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9303   -0.3118   -0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5453   -0.0823   -1.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9152   -0.0927   -1.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5114    0.1393   -3.0662 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7030   -0.3398   -0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1482   -0.5736    0.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9397   -0.8210    1.6287 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7658   -0.5507    0.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651   -0.0528   -1.3527 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2893   -0.1446   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362   -0.0714   -1.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9576   -0.1311    1.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3657   -0.1231    1.1698 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9189   -1.4069    1.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4167   -0.3655   -0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6503   -0.6395   -1.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1990    1.0030   -1.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1574    2.0930    0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4525    2.3480   -1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8476    2.3566    0.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6685   -2.2079    0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6554   -1.1294    2.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2239    0.7630    0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499   -0.7391    1.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9125    0.1073   -2.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7257    1.1155   -3.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7749   -0.3538   -0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5191   -0.9878    2.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607   -0.7356    1.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0525    0.1142   -2.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9401   -0.8177    2.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355    0.8749    2.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9617    0.5212    1.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4789   -2.0033    0.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 19  1  0
 19 20  1  0
 20 21  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
  6 22  1  0
 22 23  1  0
 23 24  1  0
 23  2  1  0
 21  5  1  0
 18 11  1  0
 20  8  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  3 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  1
  9 34  1  0
 21 40  1  0
 12 35  1  0
 14 36  1  0
 15 37  1  0
 17 38  1  0
 18 39  1  0
 22 41  1  0
 22 42  1  0
 23 43  1  1
 24 44  1  0
M  END


  Mrv1652309112204212D          

 24 27  0  0  0  0            999 V2000
    5.0634    2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5937    1.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212    0.0940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212    2.9519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    0.6979    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
  2  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 11 18  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  2  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0308527

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)OC2=C(CC3C=C(OC3=C2)C2=CC(O)=CC(O)=C2)CC1O

> <INCHI_IDENTIFIER>
InChI=1S/C19H20O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h4-6,8-10,18,20-22H,3,7H2,1-2H3

> <INCHI_KEY>
OXSJQIXSXQJWOZ-UHFFFAOYSA-N

> <FORMULA>
C19H20O5

> <MOLECULAR_WEIGHT>
328.364

> <EXACT_MASS>
328.131073744

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
35.935556581035286

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0^{3,7}]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol

> <JCHEM_LOGP>
1.2445602213333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.33021305085207

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.875723627174517

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2724472502426787

> <JCHEM_POLAR_SURFACE_AREA>
79.15

> <JCHEM_REFRACTIVITY>
93.32809999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0^{3,7}]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       9.452   5.060   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.925   3.613   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.442   3.345   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       7.591   4.383   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.126   1.597   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.320   2.843   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.090   1.509   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.630   1.509   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -3.400   0.175   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -3.400   2.843   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.630   4.177   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -3.400   5.510   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.090   4.177   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.126   4.089   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.591   1.303   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.925   2.073   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      10.259   1.303   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4   23                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   21                                                  
CONECT    6    5    7   22                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   20                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   19                                                  
CONECT   11   10   12   18                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   11                                                       
CONECT   19   10   20                                                       
CONECT   20   19    8   21                                                  
CONECT   21   20    5                                                       
CONECT   22    6   23                                                       
CONECT   23   22    2   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₀O₅

Average Mass

328.3640 Da

Monoisotopic Mass

328.13107 Da

IUPAC Name

5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0^{3,7}]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol

Traditional Name

5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0^{3,7}]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol

CAS Registry Number

Not Available

SMILES

CC1(C)OC2=C(CC3C=C(OC3=C2)C2=CC(O)=CC(O)=C2)CC1O

InChI Identifier

InChI=1S/C19H20O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h4-6,8-10,18,20-22H,3,7H2,1-2H3

InChI Key

OXSJQIXSXQJWOZ-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
Morus alba	LOTUS Database	35616633
Morus cathayana	LOTUS Database	35616633
Morus wittiorum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Resorcinol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Dihydrofuran
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
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	1.24	ChemAxon
pKa (Strongest Acidic)	8.88	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	79.15 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	93.33 m³·mol⁻¹	ChemAxon
Polarizability	35.94 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

421860

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

480776

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol (NP0308527)

MOL for NP0308527 (5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol)

3D MOL for NP0308527 (5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol)

3D SDF for NP0308527 (5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol)

3D-SDF for NP0308527 (5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol)

PDB for NP0308527 (5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol)

3D PDB for NP0308527 (5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol)

SMILES for NP0308527 (5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol)

INCHI for NP0308527 (5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol)

Structure for NP0308527 (5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol)

3D Structure for NP0308527 (5-{11-hydroxy-12,12-dimethyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5-trien-5-yl}benzene-1,3-diol)