NP-MRD: Showing NP-Card for (1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one (NP0183778)

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Record Information

Version

2.0

Created at

2022-09-03 22:44:36 UTC

Updated at

2022-09-03 22:44:36 UTC

NP-MRD ID

NP0183778

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one

Description

(1'R,2'S,3'S,4'S,6'R)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',2',3',4',6',7'-hexahydrospiro[cyclopropane-1,5'-indene]-7'-one belongs to the class of organic compounds known as cyclohexenones. (1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one is found in Omphalotus japonicus. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond (1'R,2'S,3'S,4'S,6'R)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',2',3',4',6',7'-hexahydrospiro[cyclopropane-1,5'-indene]-7'-one is an extremely weak basic (essentially neutral) compound (based on its pKa) (1'R,2'S,3'S,4'S,6'R)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',2',3',4',6',7'-hexahydrospiro[cyclopropane-1,5'-indene]-7'-one is a potentially toxic compound.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 45  0  0  0  0  0  0  0  0999 V2000
   -3.0282    0.3228   -1.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6050   -0.4092   -0.1737 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8072   -0.7319    0.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4688   -1.2634    1.8976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6669    0.5140    0.5957 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0108    1.8355    0.4835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3733    0.2070   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -1.0994   -0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648   -1.7054   -0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1031   -2.7661   -1.1107 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695   -1.0051    0.2334 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3761   -1.7121   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8223   -1.1084    1.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099    0.4557   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0089    1.3155    0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3009    1.0886   -0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7814    0.9909   -0.5573 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6681    2.4352   -0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8676    1.0672   -1.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7548   -1.6140   -0.4731 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9594   -2.0718   -1.7759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6753   -0.2835   -2.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0869    0.6538   -1.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5349    1.2622   -1.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4445   -1.4692    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4095    0.1988    0.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078   -0.6013    2.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6299    0.1656    1.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7478    2.2795    1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4380   -2.6340    0.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740   -2.1018   -1.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2546   -1.1124    0.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489   -1.3233    2.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559    0.7848    1.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930    2.3089    1.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1510    1.9859   -1.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1780    0.4903   -1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674    2.9610   -0.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6646    2.5110    1.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2109    2.9262   -0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    1.7257   -2.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9568   -2.4398    0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8182   -3.0339   -1.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0
 20  8  1  0
  8  7  2  0
  7  5  1  0
  5  6  1  0
  5  2  1  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  7 17  1  0
 17 18  1  0
 17 19  1  6
 17 14  1  0
 14 15  1  0
 15 16  1  0
 14 11  1  0
 11 12  1  0
 11 13  1  1
 11  9  1  0
  9 10  2  0
  2 20  1  0
 16 14  1  0
  9  8  1  0
 20 42  1  1
 21 43  1  0
  5 28  1  1
  6 29  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
 18 38  1  0
 18 39  1  0
 18 40  1  0
 19 41  1  0
 15 34  1  0
 15 35  1  0
 16 36  1  0
 16 37  1  0
 12 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
M  END

  Mrv0541 08291401292D          

 23 25  0  0  1  0            999 V2000
    5.7503    0.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2072    1.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6952    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7173    1.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5053    0.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4624    1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813    1.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7203    0.4753    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3142   -0.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3723    1.7641    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0145    1.2461    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8840    1.5253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5169    0.1443    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3018    0.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0864    2.6733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1710   -0.2157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5293   -0.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4138    2.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2312    2.2737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466   -0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5407    0.5632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570    2.1751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  1  1  1  0  0  0
 12  6  1  6  0  0  0
 12  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  6  0  0  0
 13  8  1  0  0  0  0
 14  3  1  1  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 15  5  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  6  1  0  0  0  0
  9 17  1  1  0  0  0
 18 10  2  0  0  0  0
 11 19  1  1  0  0  0
 13 20  1  1  0  0  0
 14 21  1  6  0  0  0
  9 22  1  6  0  0  0
 11 23  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0183778

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]1(O)C2=C([C@@]([H])(O)[C@]1(C)CO)[C@](C)(O)C1(CC1)[C@@](C)(O)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H22O6/c1-12(6-16)9(17)7-8(11(12)19)13(2,20)15(4-5-15)14(3,21)10(7)18/h9,11,16-17,19-21H,4-6H2,1-3H3/t9-,11+,12+,13-,14-/m0/s1

> <INCHI_KEY>
ICXBWQYPMZJOAM-OMRNGCIESA-N

> <FORMULA>
C15H22O6

> <MOLECULAR_WEIGHT>
298.3316

> <EXACT_MASS>
298.141638436

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
30.357771560702634

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1'R,2'S,3'S,4'S,6'R)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',2',3',4',6',7'-hexahydrospiro[cyclopropane-1,5'-indene]-7'-one

> <ALOGPS_LOGP>
-0.57

> <JCHEM_LOGP>
-1.6911190763333326

> <ALOGPS_LOGS>
-0.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.400116921266566

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.631668508991073

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8258047199493914

> <JCHEM_POLAR_SURFACE_AREA>
118.22000000000001

> <JCHEM_REFRACTIVITY>
73.57269999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.99e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1'R,2'S,3'S,4'S,6'R)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-indene]-7'-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-AUG-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-AUG-14         0                                  
HETATM    1  C   UNK     0      10.734   1.630   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.120   3.728   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.164   0.132   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.206   2.843   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.810   1.355   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.197   3.619   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.273   0.965   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.872   2.452   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.811   0.887   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.186  -0.126   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.162   3.293   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.360   2.326   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.383   2.847   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.698   0.269   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.297   1.756   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.495   4.990   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       9.653  -0.403   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       6.588  -1.613   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       8.239   4.831   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       6.031   4.244   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.567  -1.265   0.000  0.00  0.00           O+0
HETATM   22  H   UNK     0      10.343   1.051   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0       6.826   4.060   0.000  0.00  0.00           H+0
CONECT    1   12                                                            
CONECT    2   13                                                            
CONECT    3   14                                                            
CONECT    4    5   15                                                       
CONECT    5    4   15                                                       
CONECT    6   12   16                                                       
CONECT    7    8    9   10                                                  
CONECT    8    7   11   13                                                  
CONECT    9    7   12   17   22                                             
CONECT   10    7   14   18                                                  
CONECT   11    8   12   19   23                                             
CONECT   12    1    6    9   11                                             
CONECT   13    2    8   15   20                                             
CONECT   14    3   10   15   21                                             
CONECT   15    4    5   13   14                                             
CONECT   16    6                                                            
CONECT   17    9                                                            
CONECT   18   10                                                            
CONECT   19   11                                                            
CONECT   20   13                                                            
CONECT   21   14                                                            
CONECT   22    9                                                            
CONECT   23   11                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₂O₆

Average Mass

298.3316 Da

Monoisotopic Mass

298.14164 Da

IUPAC Name

(1'R,2'S,3'S,4'S,6'R)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',2',3',4',6',7'-hexahydrospiro[cyclopropane-1,5'-indene]-7'-one

Traditional Name

(1'R,2'S,3'S,4'S,6'R)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-indene]-7'-one

CAS Registry Number

Not Available

SMILES

[H][C@]1(O)C2=C([C@@]([H])(O)[C@]1(C)CO)[C@](C)(O)C1(CC1)[C@@](C)(O)C2=O

InChI Identifier

InChI=1S/C15H22O6/c1-12(6-16)9(17)7-8(11(12)19)13(2,20)15(4-5-15)14(3,21)10(7)18/h9,11,16-17,19-21H,4-6H2,1-3H3/t9-,11+,12+,13-,14-/m0/s1

InChI Key

ICXBWQYPMZJOAM-OMRNGCIESA-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
Lampteromyces japonicus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Cyclohexenones

Alternative Parents

Substituents

Cyclohexenone
Acyloin
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Polyol
Organic oxide
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	-0.57	ALOGPS
logP	-1.7	ChemAxon
logS	-0.87	ALOGPS
pKa (Strongest Acidic)	12.63	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	118.22 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	73.57 m³·mol⁻¹	ChemAxon
Polarizability	30.36 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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

C19956

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10108706

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one (NP0183778)

MOL for NP0183778 ((1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one)

3D MOL for NP0183778 ((1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one)

3D SDF for NP0183778 ((1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one)

3D-SDF for NP0183778 ((1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one)

PDB for NP0183778 ((1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one)

3D PDB for NP0183778 ((1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one)

SMILES for NP0183778 ((1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one)

INCHI for NP0183778 ((1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one)

Structure for NP0183778 ((1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one)

3D Structure for NP0183778 ((1'r,2's,3's,4's,6'r)-1',3',4',6'-tetrahydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-1',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'-one)