NP-MRD: Showing NP-Card for 17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one (NP0289241)

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Record Information

Version

2.0

Created at

2022-09-09 19:20:03 UTC

Updated at

2022-09-09 19:20:03 UTC

NP-MRD ID

NP0289241

Secondary Accession Numbers

None

Natural Product Identification

Common Name

17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one

Description

17-Hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]Henicosa-3(11),4,9-trien-8-one belongs to the class of organic compounds known as isoflavanols. These are polycyclic compounds containing a hydroxylated isoflavan skeleton. 17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one is found in Penicillium thomii. Based on a literature review very few articles have been published on 17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]Henicosa-3(11),4,9-trien-8-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092221202D          

 30 34  0  0  0  0            999 V2000
    4.6647    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0742    1.6946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780    0.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8914   -0.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6856   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8894   -1.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760   -0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0722    0.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7696    1.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228    1.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4043    0.5859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0993   -0.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3009   -1.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5067   -0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105   -1.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9163   -1.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1220   -1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9183   -0.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1240   -0.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421   -0.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6986   -0.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0798    0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8740    0.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5107    1.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3049    0.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087    0.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0991    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029   -0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8934    0.5422    0.0000 C   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  2  0  0  0  0
  6  7  1  0  0  0  0
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  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
  5 14  1  0  0  0  0
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 27 29  1  0  0  0  0
 15 29  1  0  0  0  0
 29 30  1  0  0  0  0
  4 30  1  0  0  0  0
M  END

     RDKit          3D

 64 68  0  0  0  0  0  0  0  0999 V2000
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    3.1516    1.2566   -2.2954 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2066    0.4239   -0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    0.0224    1.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6833    0.0205    1.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5051   -0.0686    0.5986 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9181    0.2070    0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6051   -0.8558   -0.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6738    0.3060    1.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0287    1.5826   -0.3898 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1569    1.6583   -1.2241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7746    2.0328   -1.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9029    0.9300   -1.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5532   -0.1257   -0.5945 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6194   -1.4564   -1.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866    0.1245    0.0388 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8832    0.4692   -0.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0141   -0.6095   -3.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3856   -1.8366   -0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7159   -0.7036   -0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9307   -0.7028    1.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1132    1.0840   -2.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 37  1  0
 13 38  1  0
M  END


  Mrv1652309092221202D          

 30 34  0  0  0  0            999 V2000
    4.6647    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0742    1.6946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780    0.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8914   -0.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6856   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8894   -1.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760   -0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0722    0.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8228    1.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3049    0.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0289241

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2CC3C(C)(CCC4C(C)(C)C(O)CCC34C)OC2=C(C)C2=C1C(=O)OC2

> <INCHI_IDENTIFIER>
InChI=1S/C25H34O5/c1-13-15-12-29-22(27)19(15)21(28-6)14-11-17-24(4)9-8-18(26)23(2,3)16(24)7-10-25(17,5)30-20(13)14/h16-18,26H,7-12H2,1-6H3

> <INCHI_KEY>
HNMHZCNKQFPENH-UHFFFAOYSA-N

> <FORMULA>
C25H34O5

> <MOLECULAR_WEIGHT>
414.542

> <EXACT_MASS>
414.240624195

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
46.78154894776773

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0^{3,11}.0^{5,9}.0^{14,19}]henicosa-3,5(9),10-trien-8-one

> <JCHEM_LOGP>
4.431727676666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.48943211913541

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.662566451550553

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8350469831959887

> <JCHEM_POLAR_SURFACE_AREA>
64.99000000000001

> <JCHEM_REFRACTIVITY>
114.8788

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0^{3,11}.0^{5,9}.0^{14,19}]henicosa-3,5(9),10-trien-8-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       8.707   4.239   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       7.605   3.163   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       7.986   1.671   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.883   0.595   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.264  -0.897   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.746  -1.314   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.127  -2.806   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.849  -0.238   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.468   1.254   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.770   2.077   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      10.869   3.614   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      11.955   1.094   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      11.385  -0.337   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       6.162  -1.972   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.679  -1.556   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.060  -3.048   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.577  -2.631   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.094  -2.215   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.714  -0.722   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.232  -0.306   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.079  -1.838   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.304  -0.421   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.149   1.187   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -1.631   1.603   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       0.953   2.262   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.436   1.846   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.816   0.353   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.918   1.429   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.299  -0.063   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.401   1.012   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5   30                                                  
CONECT    5    4    6   14                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   13                                                  
CONECT    9    8    3   10                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12    8                                                       
CONECT   14    5   15                                                       
CONECT   15   14   16   17   29                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   27                                                  
CONECT   20   19   21   22   23                                             
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   20   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   19   28   29                                             
CONECT   28   27                                                            
CONECT   29   27   15   30                                                  
CONECT   30   29    4                                                       
MASTER        0    0    0    0    0    0    0    0   30    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₃₄O₅

Average Mass

414.5420 Da

Monoisotopic Mass

414.24062 Da

IUPAC Name

17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0^{3,11}.0^{5,9}.0^{14,19}]henicosa-3,5(9),10-trien-8-one

Traditional Name

17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0^{3,11}.0^{5,9}.0^{14,19}]henicosa-3,5(9),10-trien-8-one

CAS Registry Number

Not Available

SMILES

COC1=C2CC3C(C)(CCC4C(C)(C)C(O)CCC34C)OC2=C(C)C2=C1C(=O)OC2

InChI Identifier

InChI=1S/C25H34O5/c1-13-15-12-29-22(27)19(15)21(28-6)14-11-17-24(4)9-8-18(26)23(2,3)16(24)7-10-25(17,5)30-20(13)14/h16-18,26H,7-12H2,1-6H3

InChI Key

HNMHZCNKQFPENH-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
Penicillium thomii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavanols. These are polycyclic compounds containing a hydroxylated isoflavan skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflavans

Direct Parent

Isoflavanols

Alternative Parents

Substituents

Isoflavanol
Dibenzopyran
Xanthene
Naphthopyran
Isobenzofuranone
Chromane
Benzopyran
1-benzopyran
Naphthalene
Phthalide
Isocoumaran
Anisole
Alkyl aryl ether
Benzenoid
Pyran
Cyclic alcohol
Secondary alcohol
Lactone
Carboxylic acid ester
Monocarboxylic acid or derivatives
Ether
Organoheterocyclic compound
Carboxylic acid derivative
Oxacycle
Alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
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	4.43	ChemAxon
pKa (Strongest Acidic)	13.66	ChemAxon
pKa (Strongest Basic)	-0.84	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	64.99 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	114.88 m³·mol⁻¹	ChemAxon
Polarizability	46.78 Å³	ChemAxon
Number of Rings	5	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

163063507

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one (NP0289241)

MOL for NP0289241 (17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one)

3D MOL for NP0289241 (17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one)

3D SDF for NP0289241 (17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one)

3D-SDF for NP0289241 (17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one)

PDB for NP0289241 (17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one)

3D PDB for NP0289241 (17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one)

SMILES for NP0289241 (17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one)

INCHI for NP0289241 (17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one)

Structure for NP0289241 (17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one)

3D Structure for NP0289241 (17-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-trien-8-one)