NP-MRD: Showing NP-Card for Incarvine G (NP0331567)

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Record Information

Version

2.0

Created at

2023-03-21 04:00:13 UTC

Updated at

2024-09-03 04:16:08 UTC

NP-MRD ID

NP0331567

Natural Product DOI

https://doi.org/10.57994/0544

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Incarvine G

Description

Incarvine G belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Incarvine G was first documented in 2023 (PMID: 36896496). Based on a literature review very few articles have been published on Incarvine G.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652303212305002D          

 38 40  0  0  1  0            999 V2000
    3.6584   -6.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -5.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295   -5.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150   -4.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006   -3.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006   -2.8156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0861   -2.4031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6676   -2.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196   -2.1255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6321   -1.4111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0446   -2.1255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4571   -2.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4571   -1.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0446   -0.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4571    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8071   -1.4111    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3222   -0.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.5826    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6130   -1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0861   -4.0531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295   -3.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3729   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0874   -5.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8019   -4.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5163   -5.2906    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2308   -4.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9453   -5.2906    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6597   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3742   -5.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9453   -6.1156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6597   -6.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2308   -6.5281    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2308   -7.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5163   -6.1156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8019   -6.5281    0.0000 O   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  1  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
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  1  6  0  0  0
  7 23  2  0  0  0  0
  6 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 27  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 28 37  1  0  0  0  0
 37 38  1  1  0  0  0
M  END


  Mrv1652303212305002D          

 38 40  0  0  1  0            999 V2000
    3.6584   -6.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -5.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295   -5.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150   -4.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006   -3.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006   -2.8156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0861   -2.4031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6676   -2.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196   -2.1255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6321   -1.4111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0446   -2.1255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4571   -2.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4571   -1.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0446   -0.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4571    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196   -0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8071   -1.4111    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3222   -0.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.5826    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6130   -1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0861   -4.0531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2295   -3.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3729   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0874   -5.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8019   -4.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5163   -5.2906    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2308   -4.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9453   -5.2906    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6597   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3742   -5.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9453   -6.1156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6597   -6.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2308   -6.5281    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2308   -7.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5163   -6.1156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8019   -6.5281    0.0000 O   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  1  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
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  1  6  0  0  0
  7 23  2  0  0  0  0
  6 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 27  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 28 37  1  0  0  0  0
 37 38  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0331567

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C[C@@H](OC(=O)C(\C)=C\CCC(C)CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)[C@]1([H])CN(C)C[C@@H]2C

> <INCHI_IDENTIFIER>
InChI=1S/C27H47NO8/c1-15(9-10-34-27-25(32)24(31)23(30)22(14-29)36-27)7-6-8-16(2)26(33)35-21-11-19-17(3)12-28(5)13-20(19)18(21)4/h8,15,17-25,27,29-32H,6-7,9-14H2,1-5H3/b16-8+/t15?,17-,18-,19-,20-,21+,22+,23+,24-,25+,27+/m0/s1

> <INCHI_KEY>
UMKANNGXRZZZOC-YLWHZXBESA-N

> <FORMULA>
C27H47NO8

> <MOLECULAR_WEIGHT>
513.672

> <EXACT_MASS>
513.330167477

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
58.10647758743396

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-octahydro-1H-cyclopenta[c]pyridin-6-yl (2E)-2,6-dimethyl-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-2-enoate

> <JCHEM_LOGP>
2.0873141366666657

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.200487274514423

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.213131537057881

> <JCHEM_PKA_STRONGEST_BASIC>
9.950371450820725

> <JCHEM_POLAR_SURFACE_AREA>
128.92000000000002

> <JCHEM_REFRACTIVITY>
135.6862

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-octahydrocyclopenta[c]pyridin-6-yl (2E)-2,6-dimethyl-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 21-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-MAR-23         0                                  
HETATM    1  C   UNK     0       6.829 -11.416   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.829  -9.876   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.495  -9.106   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.162  -9.876   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.828  -9.106   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.828  -7.566   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.494  -6.796   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.494  -5.256   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.161  -4.486   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.246  -5.112   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.277  -3.968   0.000  0.00  0.00           C+0
HETATM   12  H   UNK     0      -3.047  -2.634   0.000  0.00  0.00           H+0
HETATM   13  C   UNK     0      -3.817  -3.968   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.587  -5.301   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.587  -2.634   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      -3.817  -1.300   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -4.587   0.033   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.277  -1.300   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.507  -2.634   0.000  0.00  0.00           C+0
HETATM   20  H   UNK     0      -0.601  -1.388   0.000  0.00  0.00           H+0
HETATM   21  C   UNK     0      -0.000  -2.954   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.144  -1.924   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.161  -7.566   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.162  -6.796   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.163  -9.106   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.496  -9.876   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      10.830  -9.106   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      12.164  -9.876   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      13.498  -9.106   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      14.831  -9.876   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.165  -9.106   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      17.499  -9.876   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      14.831 -11.416   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      16.165 -12.186   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      13.498 -12.186   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      13.498 -13.726   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      12.164 -11.416   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      10.830 -12.186   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   25                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   24                                                  
CONECT    7    6    8   23                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   21                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13   19                                             
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   11   20   21                                             
CONECT   20   19                                                            
CONECT   21   19    9   22                                                  
CONECT   22   21                                                            
CONECT   23    7                                                            
CONECT   24    6                                                            
CONECT   25    2   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   37                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   28   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₄₇NO₈

Average Mass

513.6720 Da

Monoisotopic Mass

513.33017 Da

IUPAC Name

(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-octahydro-1H-cyclopenta[c]pyridin-6-yl (2E)-2,6-dimethyl-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-2-enoate

Traditional Name

(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-octahydrocyclopenta[c]pyridin-6-yl (2E)-2,6-dimethyl-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oct-2-enoate

CAS Registry Number

Not Available

SMILES

[H][C@@]12C[C@@H](OC(=O)C(\C)=C\CCC(C)CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)[C@]1([H])CN(C)C[C@@H]2C

InChI Identifier

InChI=1S/C27H47NO8/c1-15(9-10-34-27-25(32)24(31)23(30)22(14-29)36-27)7-6-8-16(2)26(33)35-21-11-19-17(3)12-28(5)13-20(19)18(21)4/h8,15,17-25,27,29-32H,6-7,9-14H2,1-5H3/b16-8+/t15?,17-,18-,19-,20-,21+,22+,23+,24-,25+,27+/m0/s1

InChI Key

UMKANNGXRZZZOC-YLWHZXBESA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	shoude.zhang@qhu.edu.cn	Not Available	Not Available	2024-05-11	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	shoude.zhang@qhu.edu.cn	Not Available	Not Available	2024-05-11	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	shoude.zhang@qhu.edu.cn	Not Available	Not Available	2024-05-11	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	shoude.zhang@qhu.edu.cn	Not Available	Not Available	2024-05-11	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	shoude.zhang@qhu.edu.cn	Not Available	Not Available	2024-05-11	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	shoude.zhang@qhu.edu.cn	Not Available	Not Available	2024-05-11	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	shoude.zhang@qhu.edu.cn	Not Available	Not Available	2024-05-11	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)	shoude.zhang@qhu.edu.cn	Not Available	Not Available	2024-05-11	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	shoude.zhang@qhu.edu.cn	Not Available	Not Available	2024-05-11	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)	shoude.zhang@qhu.edu.cn	Not Available	Not Available	2024-05-11	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Incarvillea sinensis		Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Monoterpenoid
Bicyclic monoterpenoid
Fatty acid ester
Piperidine
Oxane
Monosaccharide
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
Carboxylic acid ester
Amino acid or derivatives
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Amine
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	2.09	ChemAxon
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	9.95	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	128.92 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	135.69 m³·mol⁻¹	ChemAxon
Polarizability	58.11 Å³	ChemAxon
Number of Rings	3	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Song W, Zhang J, Zhao P, Huang Y, Zhang S: A New Monoterpene Alkaloid from Incarvillea sinensis with Migration Inhibitory Activity on Cancer Cell. Chem Biodivers. 2023 Apr;20(4):e202201203. doi: 10.1002/cbdv.202201203. Epub 2023 Mar 24. [PubMed:36896496 ]
DOI: 10.1002/cbdv.202201203

Showing NP-Card for Incarvine G (NP0331567)

MOL for NP0331567 (Incarvine G)

3D MOL for NP0331567 (Incarvine G)

3D SDF for NP0331567 (Incarvine G)

3D-SDF for NP0331567 (Incarvine G)

PDB for NP0331567 (Incarvine G)

3D PDB for NP0331567 (Incarvine G)

SMILES for NP0331567 (Incarvine G)

INCHI for NP0331567 (Incarvine G)

Structure for NP0331567 (Incarvine G)

3D Structure for NP0331567 (Incarvine G)