NP-MRD: Showing NP-Card for kaempferol-7-rhamnoside (NP0226949)

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Record Information

Version

2.0

Created at

2022-09-06 06:08:41 UTC

Updated at

2022-09-06 06:08:41 UTC

NP-MRD ID

NP0226949

Secondary Accession Numbers

None

Natural Product Identification

Common Name

kaempferol-7-rhamnoside

Description

Kaempferol-7-rhamnoside belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. kaempferol-7-rhamnoside is found in Aconitum lycoctonum, Actinidia kolomikta, Annulohypoxylon squamulosum, Bupleurum chinense, Cardamine leucantha, Celastrus flagellaris, Cephalocereus senilis, Chenopodiastrum murale, Dioscorea communis, Dryopteris crassirhizoma, Equisetum palustre, Eryngium campestre, Hibiscus cannabinus, Hylotelephium ewersii, Hypericum japonicum, Indigofera hebepetala, Ixora coccinea, Lepidium cartilagineum, Lespedeza virgata, Lotus pedunculatus, Maclura pomifera, Platanus hispanica, Rhodiola crenulata, Rorippa indica, Sinocrassula indica, Thulinella chrysantha, Vigna mungo and Viola diamantiaca. kaempferol-7-rhamnoside was first documented in 2014 (PMID: 24817132). Kaempferol-7-rhamnoside is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI

  Mrv1652309272006292D          

 31 34  0  0  0  0            999 V2000
10013.077910009.0505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10016.647710012.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10011.650810009.0505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10010.223810011.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10008.797210012.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10007.366310011.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10008.797210009.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.366310009.8855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10015.934610012.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.220110012.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.505610012.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.505610011.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.220010011.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.934610011.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.650610011.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.935810011.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.935810010.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.650510009.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.077110011.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10012.362510011.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10012.362510010.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.791510011.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.795910011.5346    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10008.081410011.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10008.081410010.2971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10008.795910009.8848    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10009.510210010.2971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10009.510210011.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10013.076310009.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.791510010.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.505310009.8776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 22 12  1  0  0  0  0
 20 15  2  0  0  0  0
 18 21  2  0  0  0  0
  9  2  1  0  0  0  0
 16  4  1  0  0  0  0
 18  3  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  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
 27 28  1  0  0  0  0
 28  4  1  6  0  0  0
 23  5  1  1  0  0  0
 24  6  1  1  0  0  0
 25  8  1  6  0  0  0
 26  7  1  1  0  0  0
 29 30  1  0  0  0  0
 31 30  1  0  0  0  0
 21 29  1  0  0  0  0
  1 29  2  0  0  0  0
 30 22  2  0  0  0  0
M  END

  Mrv1652309272006292D          

 31 34  0  0  0  0            999 V2000
10013.077910009.0505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10016.647710012.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10011.650810009.0505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10010.223810011.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10008.797210012.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10007.366310011.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10008.797210009.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.366310009.8855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10015.934610012.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.220110012.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.505610012.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.505610011.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.220010011.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.934610011.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.650610011.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.935810011.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.935810010.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.650510009.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.077110011.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10012.362510011.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10012.362510010.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.791510011.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.795910011.5346    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10008.081410011.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10008.081410010.2971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10008.795910009.8848    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10009.510210010.2971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10009.510210011.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10013.076310009.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.791510010.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.505310009.8776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 22 12  1  0  0  0  0
 20 15  2  0  0  0  0
 18 21  2  0  0  0  0
  9  2  1  0  0  0  0
 16  4  1  0  0  0  0
 18  3  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  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
 27 28  1  0  0  0  0
 28  4  1  6  0  0  0
 23  5  1  1  0  0  0
 24  6  1  1  0  0  0
 25  8  1  6  0  0  0
 26  7  1  1  0  0  0
 29 30  1  0  0  0  0
 31 30  1  0  0  0  0
 21 29  1  0  0  0  0
  1 29  2  0  0  0  0
 30 22  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0226949

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21-/m0/s1

> <INCHI_KEY>
HQNOUCSPWAGQND-GKLNBGJFSA-N

> <FORMULA>
C21H20O10

> <MOLECULAR_WEIGHT>
432.381

> <EXACT_MASS>
432.105646844

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
41.87034773494301

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one

> <ALOGPS_LOGP>
1.14

> <JCHEM_LOGP>
1.2387066590000004

> <ALOGPS_LOGS>
-2.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.47468698056817

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.08139073381824

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6122003587144

> <JCHEM_POLAR_SURFACE_AREA>
166.14

> <JCHEM_REFRACTIVITY>
105.48199999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.16e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  O   UNK     0    8691.0798683.561   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8697.7428690.506   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8688.4158683.561   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8685.7518688.200   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8683.0888689.740   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8680.4178688.200   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8683.0888683.580   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    8680.4178685.120   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0    8696.4118689.740   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8695.0788690.510   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8693.7448689.740   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8693.7448688.200   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8695.0778687.430   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8696.4118688.200   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8688.4148688.192   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8687.0808687.422   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8687.0808685.881   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8688.4148685.111   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0    8691.0778688.192   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0    8689.7438687.422   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8689.7438685.881   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8692.4118687.422   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8683.0868688.198   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8681.7528687.428   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8681.7528685.888   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8683.0868685.118   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0    8684.4198685.888   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0    8684.4198687.428   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8691.0768685.111   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8692.4118685.882   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0    8693.7438685.105   0.000  0.00  0.00           O+0
CONECT    1   29                                                            
CONECT    2    9                                                            
CONECT    3   18                                                            
CONECT    4   16   28                                                       
CONECT    5   23                                                            
CONECT    6   24                                                            
CONECT    7   26                                                            
CONECT    8   25                                                            
CONECT    9   10   14    2                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   22                                                  
CONECT   13   12   14                                                       
CONECT   14   13    9                                                       
CONECT   15   16   20                                                       
CONECT   16   15   17    4                                                  
CONECT   17   16   18                                                       
CONECT   18   17   21    3                                                  
CONECT   19   20   22                                                       
CONECT   20   21   19   15                                                  
CONECT   21   20   18   29                                                  
CONECT   22   19   12   30                                                  
CONECT   23   24   28    5                                                  
CONECT   24   23   25    6                                                  
CONECT   25   24   26    8                                                  
CONECT   26   25   27    7                                                  
CONECT   27   26   28                                                       
CONECT   28   23   27    4                                                  
CONECT   29   30   21    1                                                  
CONECT   30   29   31   22                                                  
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

View in JSmol

Synonyms

Value	Source
Kaempferol 7-rhamnoside	PhytoBank
alpha-Rhamnoisorobin	PhytoBank
α-Rhamnoisorobin	PhytoBank
7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	PhytoBank
7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	PhytoBank
7-O-Kaempherol rhamnoside	PhytoBank
Kaempferol 7-O-rhamnoside	PhytoBank
Kaempferol 7-O-alpha-L-rhamnopyranoside	PhytoBank
Kaempferol 7-O-α-L-rhamnopyranoside	PhytoBank
Kaempferol 7-alpha-L-rhamnoside	PhytoBank
Kaempferol 7-α-L-rhamnoside	PhytoBank
Kaempferol-7-O-alpha-L-rhamnoside	PhytoBank
Kaempferol-7-O-α-L-rhamnoside	PhytoBank
Kampferol-7-O-rhamnoside	PhytoBank

Chemical Formula

C₂₁H₂₀O₁₀

Average Mass

432.3810 Da

Monoisotopic Mass

432.10565 Da

IUPAC Name

3,5-dihydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one

Traditional Name

3,5-dihydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

CAS Registry Number

Not Available

SMILES

C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21-/m0/s1

InChI Key

HQNOUCSPWAGQND-GKLNBGJFSA-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
Aconitum lycoctonum	LOTUS Database	35616633
Actinidia kolomikta	LOTUS Database	35616633
Annulohypoxylon squamulosum	LOTUS Database	35616633
Bupleurum chinense	LOTUS Database	35616633
Cardamine leucantha	LOTUS Database	35616633
Celastrus flagellaris	LOTUS Database	35616633
Cephalocereus senilis	LOTUS Database	35616633
Chenopodiastrum murale	LOTUS Database	35616633
Dioscorea communis	LOTUS Database	35616633
Dryopteris crassirhizoma	LOTUS Database	35616633
Equisetum palustre	LOTUS Database	35616633
Eryngium campestre	LOTUS Database	35616633
Hibiscus cannabinus	LOTUS Database	35616633
Hylotelephium ewersii	LOTUS Database	35616633
Hypericum japonicum	LOTUS Database	35616633
Indigofera hebepetala	LOTUS Database	35616633
Ixora coccinea	LOTUS Database	35616633
Lepidium cartilagineum	LOTUS Database	35616633
Lespedeza virgata	LOTUS Database	35616633
Lotus pedunculatus	LOTUS Database	35616633
Maclura pomifera	LOTUS Database	35616633
Platanus x hispanica	LOTUS Database	35616633
Rhodiola crenulata	LOTUS Database	35616633
Rorippa indica	LOTUS Database	35616633
Sinocrassula indica	LOTUS Database	35616633
Thulinella chrysantha	LOTUS Database	35616633
Vigna mungo	LOTUS Database	35616633
Viola diamantiaca	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-7-o-glycoside
3-hydroxyflavone
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Phenolic glycoside
Hexose monosaccharide
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Oxane
Pyran
Monocyclic benzene moiety
Monosaccharide
Benzenoid
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Oxacycle
Polyol
Organoheterocyclic compound
Acetal
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Alcohol
Organic oxygen 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	1.14	ALOGPS
logP	1.24	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	7.08	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	166.14 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	105.48 m³·mol⁻¹	ChemAxon
Polarizability	41.87 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	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

26367429

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25079965

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Da Silva D, Casanova LM, Marcondes MC, Espindola-Netto JM, Paixao LP, De Melo GO, Zancan P, Sola-Penna M, Costa SS: Antidiabetic activity of Sedum dendroideum: metabolic enzymes as putative targets for the bioactive flavonoid kaempferitrin. IUBMB Life. 2014 May;66(5):361-70. doi: 10.1002/iub.1270. Epub 2014 May 10. [PubMed:24817132 ]
LOTUS database [Link]

Showing NP-Card for kaempferol-7-rhamnoside (NP0226949)

MOL for NP0226949 (kaempferol-7-rhamnoside)

3D MOL for NP0226949 (kaempferol-7-rhamnoside)

3D SDF for NP0226949 (kaempferol-7-rhamnoside)

3D-SDF for NP0226949 (kaempferol-7-rhamnoside)

PDB for NP0226949 (kaempferol-7-rhamnoside)

3D PDB for NP0226949 (kaempferol-7-rhamnoside)

SMILES for NP0226949 (kaempferol-7-rhamnoside)

INCHI for NP0226949 (kaempferol-7-rhamnoside)

Structure for NP0226949 (kaempferol-7-rhamnoside)

3D Structure for NP0226949 (kaempferol-7-rhamnoside)