NP-MRD: Showing NP-Card for 3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid (NP0258151)

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Record Information

Version

2.0

Created at

2022-09-07 23:28:38 UTC

Updated at

2022-09-07 23:28:38 UTC

NP-MRD ID

NP0258151

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid

Description

3-(7,11-Dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid is found in Thelonectria discophora. Based on a literature review very few articles have been published on 3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082201282D          

 29 29  0  0  0  0            999 V2000
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    8.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    7.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  4  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  2  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END

     RDKit          3D

 65 65  0  0  0  0  0  0  0  0999 V2000
    2.2444   -0.0761   -0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8247   -0.6045    1.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8462   -0.8796    1.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6143    1.0044    1.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4869    0.3626    0.5203 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2739    0.8200   -0.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3354   -1.0160    0.5970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9641    0.6263    0.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8134   -0.0424   -0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2752    0.1693    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0235   -0.5460   -1.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5236   -0.3776   -0.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5393    0.0137   -2.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7593   -1.9117   -1.0642 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4427    0.5253   -0.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425   -0.8976   -0.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4325    0.3686   -1.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2616    1.4112    0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8569    0.6854    2.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379    0.0290   -1.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2633    1.2400   -1.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8023   -1.3106    1.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1053    1.7054    0.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1858    0.2439    1.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5122    0.3292   -1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6095   -1.1290   -0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5401   -0.2600    1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5661    1.2306    0.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.0159   -1.1786   -1.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5679   -2.2807   -1.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
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 15  5  1  0
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  1 31  1  0
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 14 41  1  0
 16 42  1  0
M  END


  Mrv1652309082201282D          

 29 29  0  0  0  0            999 V2000
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4454    8.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    7.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  4  0  0  0
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 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0258151

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(CCCC(C)(O)CCCC(C)(C)O)=CCC1=C(O)C=C(C)C(C(O)=O)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C23H36O6/c1-15(8-6-12-23(5,29)13-7-11-22(3,4)28)9-10-17-18(24)14-16(2)19(20(17)25)21(26)27/h9,14,24-25,28-29H,6-8,10-13H2,1-5H3,(H,26,27)

> <INCHI_KEY>
QXGWCTXZXLYARW-UHFFFAOYSA-N

> <FORMULA>
C23H36O6

> <MOLECULAR_WEIGHT>
408.535

> <EXACT_MASS>
408.251188879

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
46.41765077791982

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid

> <JCHEM_LOGP>
5.181998342

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.723822795029706

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.959095056690557

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7317486719783121

> <JCHEM_POLAR_SURFACE_AREA>
118.22000000000001

> <JCHEM_REFRACTIVITY>
116.06039999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.127  10.780   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -4.207  10.780   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -2.667  12.320   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.001  13.090   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.001  14.630   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.335  15.400   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.668  16.170   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.565  16.734   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -6.105  14.066   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   15                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   15                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   11    5   16                                                  
CONECT   16   15                                                            
CONECT   17    2   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22   23                                             
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   20   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   58    0
END

View in JSmol

Synonyms

Value	Source
3-(7,11-Dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoate	Generator

Chemical Formula

C₂₃H₃₆O₆

Average Mass

408.5350 Da

Monoisotopic Mass

408.25119 Da

IUPAC Name

3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid

Traditional Name

3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid

CAS Registry Number

Not Available

SMILES

CC(CCCC(C)(O)CCCC(C)(C)O)=CCC1=C(O)C=C(C)C(C(O)=O)=C1O

InChI Identifier

InChI=1S/C23H36O6/c1-15(8-6-12-23(5,29)13-7-11-22(3,4)28)9-10-17-18(24)14-16(2)19(20(17)25)21(26)27/h9,14,24-25,28-29H,6-8,10-13H2,1-5H3,(H,26,27)

InChI Key

QXGWCTXZXLYARW-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
Thelonectria discophora	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Farsesane sesquiterpenoid
Sesquiterpenoid
Dihydroxybenzoic acid
Salicylic acid
Salicylic acid or derivatives
Hydroxybenzoic acid
Benzoic acid
Benzoic acid or derivatives
Resorcinol
M-cresol
Benzoyl
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Toluene
Phenol
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Tertiary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	5.18	ChemAxon
pKa (Strongest Acidic)	2.96	ChemAxon
pKa (Strongest Basic)	-0.73	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	118.22 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	116.06 m³·mol⁻¹	ChemAxon
Polarizability	46.42 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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

162815065

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid (NP0258151)

MOL for NP0258151 (3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid)

3D MOL for NP0258151 (3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid)

3D SDF for NP0258151 (3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid)

3D-SDF for NP0258151 (3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid)

PDB for NP0258151 (3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid)

3D PDB for NP0258151 (3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid)

SMILES for NP0258151 (3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid)

INCHI for NP0258151 (3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid)

Structure for NP0258151 (3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid)

3D Structure for NP0258151 (3-(7,11-dihydroxy-3,7,11-trimethyldodec-2-en-1-yl)-2,4-dihydroxy-6-methylbenzoic acid)