NP-MRD: Showing NP-Card for 2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate (NP0294268)

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Record Information

Version

2.0

Created at

2022-09-10 02:43:43 UTC

Updated at

2022-09-10 02:43:43 UTC

NP-MRD ID

NP0294268

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate

Description

4,5,6,9,11-Pentahydroxy-13,15-dioxa-8-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]Heptadeca-1(17),8,10,12(16)-tetraen-3-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate 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. 2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate is found in Zephyranthes carinata. 4,5,6,9,11-Pentahydroxy-13,15-dioxa-8-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]Heptadeca-1(17),8,10,12(16)-tetraen-3-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004261504052D          

 40 44  0  0  0  0            999 V2000
    3.0806   -4.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3897   -1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0458   -0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1382   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 40  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004261504052D          

 40 44  0  0  0  0            999 V2000
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    4.1443   -5.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6761   -6.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -7.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9276   -7.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6473   -8.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5837   -7.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034   -8.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0518   -6.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2397   -6.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3321   -5.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8003   -5.1901    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  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
  7 28  1  0  0  0  0
 14 28  1  0  0  0  0
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 30 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0294268

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(CC(=O)OC1C(O)C(O)C(O)C2NC(=O)C3=C(O)C4=C(OCO4)C=C3C12)OC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C24H31NO15/c1-6(38-24-20(34)17(31)14(28)9(4-26)39-24)2-10(27)40-22-11-7-3-8-21(37-5-36-8)15(29)12(7)23(35)25-13(11)16(30)18(32)19(22)33/h3,6,9,11,13-14,16-20,22,24,26,28-34H,2,4-5H2,1H3,(H,25,35)

> <INCHI_KEY>
QGRGVCXBYQUGHI-UHFFFAOYSA-N

> <FORMULA>
C24H31NO15

> <MOLECULAR_WEIGHT>
573.504

> <EXACT_MASS>
573.169369302

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
54.01972764937228

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,5,6,11-tetrahydroxy-9-oxo-13,15-dioxa-8-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(17),10,12(16)-trien-3-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate

> <ALOGPS_LOGP>
-1.56

> <JCHEM_LOGP>
-3.4093963846666657

> <ALOGPS_LOGS>
-1.21

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.094271036899437

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.476061699133837

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4583951707110128

> <JCHEM_POLAR_SURFACE_AREA>
254.1599999999999

> <JCHEM_REFRACTIVITY>
125.03610000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.51e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,5,6,11-tetrahydroxy-9-oxo-13,15-dioxa-8-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(17),10,12(16)-trien-3-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0       5.751  -8.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.266  -7.969   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.790  -6.520   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.797  -5.343   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.281  -5.614   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       7.320  -3.895   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.327  -2.717   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.811  -2.988   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.288  -4.437   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.819  -1.811   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.303  -2.082   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.342  -0.363   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.349   0.815   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.858  -0.092   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       6.381   1.357   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       7.897   1.628   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       8.420   3.076   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.890   0.451   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.406   0.722   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      10.929   2.170   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      11.399  -0.456   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      12.938  -0.506   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      13.366  -1.985   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      12.091  -2.849   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      10.875  -1.904   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.359  -2.175   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.367  -0.998   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.851  -1.269   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       8.259  -9.146   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       7.736 -10.594   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       8.729 -11.772   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       8.205 -13.220   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.198 -14.397   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.675 -15.846   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.690 -13.491   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       6.166 -14.940   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.697 -12.314   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       4.181 -12.585   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       6.220 -10.866   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       5.227  -9.688   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   29                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   28                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   28                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   27                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   25                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   21   26                                                  
CONECT   26   25   27                                                       
CONECT   27   26   18   28                                                  
CONECT   28   27    7   14                                                  
CONECT   29    2   30                                                       
CONECT   30   29   31   39                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   32   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   30   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

View in JSmol

Synonyms

Value	Source
4,5,6,9,11-Pentahydroxy-13,15-dioxa-8-azatetracyclo[8.7.0.0,.0,]heptadeca-1(17),8,10,12(16)-tetraen-3-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoic acid	Generator
4,5,6,9,11-Pentahydroxy-13,15-dioxa-8-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(17),8,10,12(16)-tetraen-3-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoic acid	Generator

Chemical Formula

C₂₄H₃₁NO₁₅

Average Mass

573.5040 Da

Monoisotopic Mass

573.16937 Da

IUPAC Name

4,5,6,11-tetrahydroxy-9-oxo-13,15-dioxa-8-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(17),10,12(16)-trien-3-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate

Traditional Name

4,5,6,11-tetrahydroxy-9-oxo-13,15-dioxa-8-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(17),10,12(16)-trien-3-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate

CAS Registry Number

Not Available

SMILES

CC(CC(=O)OC1C(O)C(O)C(O)C2NC(=O)C3=C(O)C4=C(OCO4)C=C3C12)OC1OC(CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C24H31NO15/c1-6(38-24-20(34)17(31)14(28)9(4-26)39-24)2-10(27)40-22-11-7-3-8-21(37-5-36-8)15(29)12(7)23(35)25-13(11)16(30)18(32)19(22)33/h3,6,9,11,13-14,16-20,22,24,26,28-34H,2,4-5H2,1H3,(H,25,35)

InChI Key

QGRGVCXBYQUGHI-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
Zephyranthes carinata	LOTUS Database	35616633

Chemical Taxonomy

Description

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.

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
Benzoquinoline
Phenanthridine
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Dihydroisoquinoline
Quinoline
Benzodioxole
1-hydroxy-4-unsubstituted benzenoid
Fatty acid ester
Sugar acid
Cyclitol or derivatives
Monosaccharide
Oxane
Benzenoid
Cyclic carboximidic acid
Cyclic alcohol
Secondary alcohol
Carboxylic acid ester
Propargyl-type 1,3-dipolar organic compound
Polyol
Acetal
Organic 1,3-dipolar compound
Organoheterocyclic compound
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Azacycle
Oxacycle
Primary alcohol
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Alcohol
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen 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	-1.6	ALOGPS
logP	-3.4	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	8.48	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	254.16 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	125.04 m³·mol⁻¹	ChemAxon
Polarizability	54.02 Å³	ChemAxon
Number of Rings	5	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

LOTUS database [Link]

Showing NP-Card for 2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate (NP0294268)

MOL for NP0294268 (2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate)

3D MOL for NP0294268 (2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate)

3D SDF for NP0294268 (2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate)

3D-SDF for NP0294268 (2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate)

PDB for NP0294268 (2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate)

3D PDB for NP0294268 (2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate)

SMILES for NP0294268 (2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate)

INCHI for NP0294268 (2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate)

Structure for NP0294268 (2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate)

3D Structure for NP0294268 (2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate)