NP-MRD: Showing NP-Card for 10-Deoxygeniposidic acid (NP0082688)

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Record Information

Version

2.0

Created at

2022-04-29 03:46:18 UTC

Updated at

2022-04-29 03:46:18 UTC

NP-MRD ID

NP0082688

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10-Deoxygeniposidic acid

Description

10-Deoxygeniposidic acid belongs to the class of organic compounds known as iridoid o-glycosides. These are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton. 10-Deoxygeniposidic acid is found in Leonurus persicus, Scrophularia dentata and Scyphiphora hydrophyllacea. 10-Deoxygeniposidic acid was first documented in 2020 (PMID: 32647482). Based on a literature review very few articles have been published on 10-Deoxygeniposidic acid (PMID: 31429297).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 49  0  0  0  0  0  0  0  0999 V2000
   -1.4546    0.9357   -2.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1050    0.8768   -0.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5886    1.9090   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1646    1.4616    1.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3699   -0.0335    0.8916 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2603   -0.7118    2.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2764   -0.4209    3.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2360   -0.9694    4.3631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3074    0.4546    2.9870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2923   -1.5707    2.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3421   -1.8324    1.5288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0430   -0.7796    0.6351 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0045   -1.0777   -0.2137 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1079   -0.2589   -0.0524 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5733    0.3060   -1.2132 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9020    0.6427   -1.1946 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2216    1.3463   -2.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9694    0.5231   -3.5968 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8326   -0.5471   -1.1045 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8164   -0.3638   -0.1277 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721   -1.7174   -0.6101 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0677   -2.1032   -1.6011 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1895   -1.1623    0.5639 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0365   -0.4105    1.3769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2955   -0.3902   -0.0809 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8127    1.8322   -2.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8899    0.0043   -2.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2222    1.0120   -3.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5729    2.9348   -0.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1273    1.9838    1.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4529    1.6445    1.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3631   -0.1924    0.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7211    1.0106    3.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673   -2.0430    3.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7052    0.0892    1.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9012    0.4963    0.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1758    1.3478   -0.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5922    2.2612   -2.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2727    1.6730   -2.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828    1.0549   -4.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3287   -0.7903   -2.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    0.5853    0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247   -2.5647   -0.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4996   -2.2068   -2.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7437   -1.9924    1.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6412   -1.0207    1.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5947   -1.2259   -0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5 25  1  0
 25 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12 11  1  0
 11 10  1  0
 10  6  2  0
  6  7  1  0
  7  9  1  0
  7  8  2  0
 25  2  1  0
 23 14  1  0
  6  5  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  6
 25 47  1  6
 12 35  1  1
 14 36  1  1
 16 37  1  1
 17 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  6
 20 42  1  0
 21 43  1  1
 22 44  1  0
 23 45  1  1
 24 46  1  0
 10 34  1  0
  9 33  1  0
M  END


  Mrv1652304292205462D          

 25 27  0  0  1  0            999 V2000
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    3.5854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0701    4.4104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7845    4.8229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4990    4.4104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4990    3.5854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7845    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9279    3.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    4.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    5.6479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    4.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.5396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.5396    0.0000 O   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  6  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  1  0  0  0
 14 15  1  0  0  0  0
 11 16  1  6  0  0  0
 10 17  1  1  0  0  0
  9 18  1  6  0  0  0
  4 19  1  1  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
  3 21  1  1  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0082688

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H22O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h2,5,7,9-13,15-20H,3-4H2,1H3,(H,21,22)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1

> <INCHI_KEY>
HOKQPTUPMSNUAF-OGJQONSISA-N

> <FORMULA>
C16H22O9

> <MOLECULAR_WEIGHT>
358.343

> <EXACT_MASS>
358.126382288

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
35.0383892136035

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4aS,7aS)-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid

> <ALOGPS_LOGP>
-1.20

> <JCHEM_LOGP>
-1.3131875379999995

> <ALOGPS_LOGS>
-1.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.207016003918218

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.298054338929086

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810847615635083

> <JCHEM_POLAR_SURFACE_AREA>
145.91

> <JCHEM_REFRACTIVITY>
81.96279999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.79e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
10-deoxygeniposidic acid

> <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       3.864   2.073   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.530   1.303   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.197   2.073   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.197   3.613   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.530   4.383   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       3.864   3.613   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       2.530   5.923   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.864   6.693   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.864   8.233   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.198   9.003   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.531   8.233   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.531   6.693   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       5.198   5.923   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       7.865   5.923   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       9.199   6.693   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       7.865   9.003   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       5.198  10.543   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       2.530   9.003   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -0.268   4.089   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.173   2.843   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.268   1.597   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.744   5.553   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.530  -0.237   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.864  -1.007   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       1.197  -1.007   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   23                                                  
CONECT    3    2    4   21                                                  
CONECT    4    3    5   19                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10   18                                                  
CONECT   10    9   11   17                                                  
CONECT   11   10   12   16                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12    8                                                       
CONECT   14   12   15                                                       
CONECT   15   14                                                            
CONECT   16   11                                                            
CONECT   17   10                                                            
CONECT   18    9                                                            
CONECT   19    4   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20    3                                                       
CONECT   22   19                                                            
CONECT   23    2   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

View in JSmol

Synonyms

Value	Source
10-Deoxygeniposidate	Generator

Chemical Formula

C₁₆H₂₂O₉

Average Mass

358.3430 Da

Monoisotopic Mass

358.12638 Da

IUPAC Name

(1S,4aS,7aS)-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid

Traditional Name

10-deoxygeniposidic acid

CAS Registry Number

Not Available

SMILES

CC1=CC[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O

InChI Identifier

InChI=1S/C16H22O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h2,5,7,9-13,15-20H,3-4H2,1H3,(H,21,22)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1

InChI Key

HOKQPTUPMSNUAF-OGJQONSISA-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
Leonurus persicus	Plant	KNApSAcK
Scrophularia dentata	Plant	KNApSAcK
Scyphiphora hydrophyllacea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as iridoid o-glycosides. These are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Iridoid O-glycosides

Alternative Parents

Substituents

Iridoid o-glycoside
Hexose monosaccharide
Glycosyl compound
Iridoid-skeleton
O-glycosyl compound
Bicyclic monoterpenoid
Monoterpenoid
Monosaccharide
Oxane
Vinylogous ester
Secondary alcohol
Acetal
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Oxacycle
Carboxylic acid
Carboxylic acid derivative
Polyol
Primary alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

terpene glycoside (CHEBI:695 )
Iridoids (C11672 )

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	-1.2	ALOGPS
logP	-1.3	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	4.3	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	145.91 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	81.96 m³·mol⁻¹	ChemAxon
Polarizability	35.04 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

C00049601

Chemspider ID

391589

KEGG Compound ID

C11672

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

443353

PDB ID

Not Available

ChEBI ID

695

Good Scents ID

Not Available

References

General References

Ma LL, Wang LL, Zhang YF, Jiang XF, Zhu XL, Pan K, Wan CX, Zhou ZB: A new chlorine-containing iridoid glycoside from Plantago maxima. Nat Prod Res. 2021 May;35(9):1491-1496. doi: 10.1080/14786419.2019.1655410. Epub 2019 Aug 20. [PubMed:31429297 ]
Calis I, Weas A, Soliman Yusufoglu H, Donmez AA, Jensen SR: Iridoid glucosides from Wendlandia ligustroides (Boiss. &Hohen.) Blakelock. Saudi Pharm J. 2020 Jul;28(7):814-818. doi: 10.1016/j.jsps.2020.05.009. Epub 2020 Jun 3. [PubMed:32647482 ]

Showing NP-Card for 10-Deoxygeniposidic acid (NP0082688)

MOL for NP0082688 (10-Deoxygeniposidic acid)

3D MOL for NP0082688 (10-Deoxygeniposidic acid)

3D SDF for NP0082688 (10-Deoxygeniposidic acid)

3D-SDF for NP0082688 (10-Deoxygeniposidic acid)

PDB for NP0082688 (10-Deoxygeniposidic acid)

3D PDB for NP0082688 (10-Deoxygeniposidic acid)

SMILES for NP0082688 (10-Deoxygeniposidic acid)

INCHI for NP0082688 (10-Deoxygeniposidic acid)

Structure for NP0082688 (10-Deoxygeniposidic acid)

3D Structure for NP0082688 (10-Deoxygeniposidic acid)