NP-MRD: Showing NP-Card for (-)-3-O-Geranylforbesione (NP0081310)

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Record Information

Version

2.0

Created at

2022-04-29 02:16:00 UTC

Updated at

2022-04-29 02:16:00 UTC

NP-MRD ID

NP0081310

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-3-O-Geranylforbesione

Description

(1S,2S,13S,15R)-6-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-8-hydroxy-17,17-dimethyl-5,15-bis(3-methylbut-2-en-1-yl)-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]Octadeca-4(9),5,7,11-tetraene-10,14-dione belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. (-)-3-O-Geranylforbesione is found in Garcinia hanburyi . Based on a literature review very few articles have been published on (1S,2S,13S,15R)-6-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-8-hydroxy-17,17-dimethyl-5,15-bis(3-methylbut-2-en-1-yl)-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]Octadeca-4(9),5,7,11-tetraene-10,14-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292204162D          

 44 48  0  0  1  0            999 V2000
    6.1853    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652304292204162D          

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    4.8617    1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3681    0.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2239   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4603   -1.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2606   -1.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4874   -2.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8342   -0.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0208    0.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3225    1.5281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8493    2.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912    3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6660    2.8381    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9732    2.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    2.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386    1.5813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6016    1.1325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0978    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7003    1.0558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8088    2.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2798    0.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3567   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178   -0.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8527   -1.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441   -1.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6779    2.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0544    3.2814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3696    2.7147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8534   -0.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6974   -0.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1329    0.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9575    0.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3930    1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2176    1.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6532    1.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4777    1.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9133    2.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667    1.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3465   -0.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  1  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
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  5 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  6  0  0  0
 16 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 19 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 14 31  1  0  0  0  0
  4 31  1  0  0  0  0
 31 32  2  0  0  0  0
  3 33  1  0  0  0  0
  1 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 37 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0081310

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC\C(C)=C\COC1=CC(O)=C2C(=O)C3=C[C@@H]4C[C@H]5C(C)(C)O[C@@](CC=C(C)C)(C4=O)[C@@]35OC2=C1CC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C38H48O6/c1-22(2)11-10-12-25(7)16-18-42-30-21-29(39)32-33(40)28-19-26-20-31-36(8,9)44-37(35(26)41,17-15-24(5)6)38(28,31)43-34(32)27(30)14-13-23(3)4/h11,13,15-16,19,21,26,31,39H,10,12,14,17-18,20H2,1-9H3/b25-16+/t26-,31+,37+,38-/m1/s1

> <INCHI_KEY>
CYSGOBSZQASJBE-WOQRFNKWSA-N

> <FORMULA>
C38H48O6

> <MOLECULAR_WEIGHT>
600.796

> <EXACT_MASS>
600.345089266

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
69.60153549636453

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,13S,15R)-6-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-8-hydroxy-17,17-dimethyl-5,15-bis(3-methylbut-2-en-1-yl)-3,16-dioxapentacyclo[11.4.1.0^{2,11}.0^{2,15}.0^{4,9}]octadeca-4,6,8,11-tetraene-10,14-dione

> <ALOGPS_LOGP>
6.81

> <JCHEM_LOGP>
8.817062241666667

> <ALOGPS_LOGS>
-5.78

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.744809524129858

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.668327000982808

> <JCHEM_PKA_STRONGEST_BASIC>
-4.12963795194701

> <JCHEM_POLAR_SURFACE_AREA>
82.06

> <JCHEM_REFRACTIVITY>
178.70940000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.00e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,13S,15R)-6-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-8-hydroxy-17,17-dimethyl-5,15-bis(3-methylbut-2-en-1-yl)-3,16-dioxapentacyclo[11.4.1.0^{2,11}.0^{2,15}.0^{4,9}]octadeca-4,6,8,11-tetraene-10,14-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0      11.546   0.940   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.126   2.366   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.181   3.582   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.655   3.371   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.075   1.945   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.020   0.729   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.751  -0.949   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.192  -2.492   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.686  -2.866   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.110  -4.347   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.757  -1.759   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       7.506   1.817   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.202   2.852   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.185   4.202   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.517   5.674   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.977   5.298   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.683   4.412   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.249   5.103   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.365   2.952   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.990   2.114   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.916   0.888   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.040   1.971   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.243   3.735   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.389   0.053   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.687  -0.808   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.970   1.033   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.266  -0.043   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.007  -1.561   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.192  -2.544   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.562  -2.095   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.732   4.630   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       9.435   6.125   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      11.890   5.067   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      12.793  -0.178   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      14.368  -0.229   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.181   1.079   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      16.721   1.029   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      17.534   2.337   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      19.073   2.286   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      19.886   3.594   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      21.425   3.544   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      22.238   4.852   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      22.151   2.186   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      17.447  -0.329   0.000  0.00  0.00           C+0
CONECT    1    2    6   34                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   33                                                  
CONECT    4    3    5   31                                                  
CONECT    5    4    6   12                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    5   13                                                       
CONECT   13   12   14   19   22                                             
CONECT   14   13   15   31                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   23                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   13   20   26                                             
CONECT   20   19   21                                                       
CONECT   21   20   22   24   25                                             
CONECT   22   21   13   23                                                  
CONECT   23   22   16                                                       
CONECT   24   21                                                            
CONECT   25   21                                                            
CONECT   26   19   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   14    4   32                                                  
CONECT   32   31                                                            
CONECT   33    3                                                            
CONECT   34    1   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   44                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41                                                            
CONECT   44   37                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₄₈O₆

Average Mass

600.7960 Da

Monoisotopic Mass

600.34509 Da

IUPAC Name

(1S,2S,13S,15R)-6-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-8-hydroxy-17,17-dimethyl-5,15-bis(3-methylbut-2-en-1-yl)-3,16-dioxapentacyclo[11.4.1.0^{2,11}.0^{2,15}.0^{4,9}]octadeca-4,6,8,11-tetraene-10,14-dione

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(C)=CCC\C(C)=C\COC1=CC(O)=C2C(=O)C3=C[C@@H]4C[C@H]5C(C)(C)O[C@@](CC=C(C)C)(C4=O)[C@@]35OC2=C1CC=C(C)C

InChI Identifier

InChI=1S/C38H48O6/c1-22(2)11-10-12-25(7)16-18-42-30-21-29(39)32-33(40)28-19-26-20-31-36(8,9)44-37(35(26)41,17-15-24(5)6)38(28,31)43-34(32)27(30)14-13-23(3)4/h11,13,15-16,19,21,26,31,39H,10,12,14,17-18,20H2,1-9H3/b25-16+/t26-,31+,37+,38-/m1/s1

InChI Key

CYSGOBSZQASJBE-WOQRFNKWSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Garcinia hanburyi	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthones

Alternative Parents

Substituents

Xanthone
Chromone
Aromatic monoterpenoid
Monoterpenoid
Aryl ketone
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Cyclohexenone
Phenol
Oxepane
Benzenoid
Vinylogous acid
Oxolane
Ketone
Dialkyl ether
Ether
Oxacycle
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
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	6.81	ALOGPS
logP	8.82	ChemAxon
logS	-5.8	ALOGPS
pKa (Strongest Acidic)	8.67	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	82.06 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	178.71 m³·mol⁻¹	ChemAxon
Polarizability	69.6 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

25208760

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (-)-3-O-Geranylforbesione (NP0081310)

MOL for NP0081310 ((-)-3-O-Geranylforbesione)

3D MOL for NP0081310 ((-)-3-O-Geranylforbesione)

3D SDF for NP0081310 ((-)-3-O-Geranylforbesione)

3D-SDF for NP0081310 ((-)-3-O-Geranylforbesione)

PDB for NP0081310 ((-)-3-O-Geranylforbesione)

3D PDB for NP0081310 ((-)-3-O-Geranylforbesione)

SMILES for NP0081310 ((-)-3-O-Geranylforbesione)

INCHI for NP0081310 ((-)-3-O-Geranylforbesione)

Structure for NP0081310 ((-)-3-O-Geranylforbesione)

3D Structure for NP0081310 ((-)-3-O-Geranylforbesione)