NP-MRD: Showing NP-Card for Phaseoloidin (NP0078660)

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Record Information

Version

1.0

Created at

2022-04-28 23:41:23 UTC

Updated at

2022-04-28 23:41:23 UTC

NP-MRD ID

NP0078660

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Phaseoloidin

Description

PHASEOLOIDIN belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phaseoloidin is found in Entada phaseoloides and Entada pursaetha. It was first documented in 2005 (PMID: 16124758). Based on a literature review a small amount of articles have been published on PHASEOLOIDIN (PMID: 34424556) (PMID: 26390638) (PMID: 25398297) (PMID: 21904938).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 42  0  0  0  0  0  0  0  0999 V2000
    2.5649    1.8393   -1.8035 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3091    1.0614   -2.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9820    1.5938   -3.9884 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460   -0.3964   -2.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7145   -0.8112   -1.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9495   -1.2888   -0.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2945   -1.6738    0.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5555   -2.1553    0.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3160   -1.5575    1.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0342   -1.0765    1.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516   -0.7084   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142   -0.2367   -0.5425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5963   -0.0356    0.2511 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7055   -0.7567   -0.1985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7285   -0.6279    0.7217 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8343   -1.6170    0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7858   -1.3637    1.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2323    0.8119    0.6342 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3958    1.0084    1.3294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0753    1.6694    1.1589 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4491    2.9993    1.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9418    1.4593    0.1773 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1817    2.2115    0.5007 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2939    2.3578   -4.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0137   -0.8854   -3.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3254   -0.8041   -2.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7032   -1.3713   -1.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2415   -1.4526    1.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4964   -1.8373    2.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3110   -1.0137    1.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4479   -0.2597    1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2987   -0.7451    1.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4190   -2.6200    0.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3323   -1.5487   -0.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4469   -1.6139    2.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3076    1.0303   -0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1613    0.8453    0.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7993    1.2231    2.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6025    3.5182    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359    1.6850   -0.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025    3.1432    0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  2  0
 10  9  1  0
  9  7  2  0
  7  8  1  0
  7  6  1  0
  6  5  2  0
  5  4  1  0
  4  2  1  0
  2  3  1  0
  2  1  2  0
 13 22  1  0
 22 23  1  0
 22 20  1  0
 20 21  1  0
 20 18  1  0
 18 19  1  0
 18 15  1  0
  5 11  1  0
 17 35  1  0
 16 33  1  0
 16 34  1  0
 15 32  1  1
 13 31  1  1
 10 30  1  0
  9 29  1  0
  8 28  1  0
  6 27  1  0
  4 25  1  0
  4 26  1  0
  3 24  1  0
 22 40  1  6
 23 41  1  0
 20 38  1  1
 21 39  1  0
 18 36  1  6
 19 37  1  0
M  END


  Mrv1652304292201412D          

 23 24  0  0  1  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  1  0  0  0
 18 21  1  6  0  0  0
 15 22  1  6  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0078660

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2CC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H18O9/c15-5-9-11(19)12(20)13(21)14(23-9)22-8-2-1-7(16)3-6(8)4-10(17)18/h1-3,9,11-16,19-21H,4-5H2,(H,17,18)/t9-,11-,12+,13-,14-/m1/s1

> <INCHI_KEY>
MVFYXXNAFZRZAM-RGCYKPLRSA-N

> <FORMULA>
C14H18O9

> <MOLECULAR_WEIGHT>
330.289

> <EXACT_MASS>
330.09508216

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
30.98575092950654

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(5-hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid

> <ALOGPS_LOGP>
-0.98

> <JCHEM_LOGP>
-1.264204631333333

> <ALOGPS_LOGS>
-1.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.762224249503198

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.53911158932959

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923448681947

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
73.4718

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.11e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5-hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic 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       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.000 -12.320   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   12                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5                                                            
CONECT    8    3    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    2   13                                                       
CONECT   13   12   14   19                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   22                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   21                                                  
CONECT   19   18   13   20                                                  
CONECT   20   19                                                            
CONECT   21   18                                                            
CONECT   22   15   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₄H₁₈O₉

Average Mass

330.2890 Da

Monoisotopic Mass

330.09508 Da

IUPAC Name

2-(5-hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid

Traditional Name

(5-hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2CC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C14H18O9/c15-5-9-11(19)12(20)13(21)14(23-9)22-8-2-1-7(16)3-6(8)4-10(17)18/h1-3,9,11-16,19-21H,4-5H2,(H,17,18)/t9-,11-,12+,13-,14-/m1/s1

InChI Key

MVFYXXNAFZRZAM-RGCYKPLRSA-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
Entada phaseoloides	Plant	KNApSAcK
Entada pursaetha	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Hexose monosaccharide
O-glycosyl compound
4-alkoxyphenol
Phenoxy compound
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Monosaccharide
Benzenoid
Oxane
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	-0.98	ALOGPS
logP	-1.3	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	3.54	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	156.91 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	73.47 m³·mol⁻¹	ChemAxon
Polarizability	30.99 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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

C00042849

Chemspider ID

31120086

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14104237

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhou Y, Shan H, Lu H: Optimization, extraction, and purification of three bioactive compounds from Entada phaseoloides by high-speed countercurrent chromatography. Biomed Chromatogr. 2021 Dec;35(12):e5232. doi: 10.1002/bmc.5232. Epub 2021 Sep 6. [PubMed:34424556 ]
Shen HP, Wang MY, Li XB: [Quality standard study on Entadae Semen]. Zhongguo Zhong Yao Za Zhi. 2015 May;40(10):1860-4. [PubMed:26390638 ]
Xing S, Wang M, Peng Y, Dong Y, Li X: Intestinal bacterial metabolism and anti-complement activities of three major components of the seeds of Entada phaseoloides. J Nat Med. 2015 Apr;69(2):171-7. doi: 10.1007/s11418-014-0874-4. Epub 2014 Nov 15. [PubMed:25398297 ]
Weinhold A, Shaker K, Wenzler M, Schneider B, Baldwin IT: Phaseoloidin, a homogentisic acid glucoside from Nicotiana attenuata trichomes, contributes to the plant's resistance against lepidopteran herbivores. J Chem Ecol. 2011 Oct;37(10):1091-8. doi: 10.1007/s10886-011-0012-7. Epub 2011 Sep 9. [PubMed:21904938 ]
Tapondjou AL, Miyamoto T, Mirjolet JF, Guilbaud N, Lacaille-Dubois MA: Pursaethosides A-E, triterpene saponins from Entada pursaetha. J Nat Prod. 2005 Aug;68(8):1185-90. doi: 10.1021/np0580311. [PubMed:16124758 ]

Showing NP-Card for Phaseoloidin (NP0078660)

MOL for NP0078660 (Phaseoloidin)

3D MOL for NP0078660 (Phaseoloidin)

3D SDF for NP0078660 (Phaseoloidin)

3D-SDF for NP0078660 (Phaseoloidin)

PDB for NP0078660 (Phaseoloidin)

3D PDB for NP0078660 (Phaseoloidin)

SMILES for NP0078660 (Phaseoloidin)

INCHI for NP0078660 (Phaseoloidin)

Structure for NP0078660 (Phaseoloidin)

3D Structure for NP0078660 (Phaseoloidin)