NP-MRD: Showing NP-Card for 2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one (NP0258561)

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Record Information

Version

2.0

Created at

2022-09-08 00:04:21 UTC

Updated at

2022-09-08 00:04:21 UTC

NP-MRD ID

NP0258561

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one

Description

4-(1-Hydroxybut-2-en-2-yl)-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,17-diazatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-1(10),2,4,11(16),12,14-hexaen-6-one 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. 2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one is found in Nauclea officinalis. 4-(1-Hydroxybut-2-en-2-yl)-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,17-diazatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-1(10),2,4,11(16),12,14-hexaen-6-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004171516362D          

 35 39  0  0  0  0            999 V2000
    1.6894    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710   -1.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9474   -1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5764   -2.0451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2237   -1.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8527   -2.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3053   -3.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9343   -4.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1290   -3.3303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816   -4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4053   -3.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7763   -3.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3236   -2.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397   -1.9027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6113   -2.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3446   -1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3838   -0.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1171   -0.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1563    0.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8896    0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2347    1.8578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5836    0.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3169    0.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5444   -0.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2385   -1.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8111   -1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7719   -1.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0387   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9995   -3.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2662   -3.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5721   -3.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473   -1.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 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
 13 14  2  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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 17 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 13 33  1  0  0  0  0
 16 33  1  0  0  0  0
 14 34  1  0  0  0  0
 10 34  1  0  0  0  0
 34 35  2  0  0  0  0
  6 35  1  0  0  0  0
M  END


  Mrv1533004171516362D          

 35 39  0  0  0  0            999 V2000
    1.6894    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710   -1.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9474   -1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5764   -2.0451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2237   -1.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8527   -2.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3053   -3.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9343   -4.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1290   -3.3303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816   -4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4053   -3.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7763   -3.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3236   -2.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397   -1.9027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6113   -2.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3446   -1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3838   -0.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1171   -0.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1563    0.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8896    0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288    1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2347    1.8578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5836    0.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3169    0.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5444   -0.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2385   -1.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8111   -1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7719   -1.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0387   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9995   -3.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2662   -3.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5721   -3.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473   -1.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 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
 13 14  2  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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 17 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 13 33  1  0  0  0  0
 16 33  1  0  0  0  0
 14 34  1  0  0  0  0
 10 34  1  0  0  0  0
 34 35  2  0  0  0  0
  6 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0258561

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC=C(CO)C1=CC(=O)N2CCC3=C(NC4=C(OC5OC(CO)C(O)C(O)C5O)C=CC=C34)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C25H28N2O8/c1-2-12(10-28)13-8-16-20-15(6-7-27(16)19(30)9-13)14-4-3-5-17(21(14)26-20)34-25-24(33)23(32)22(31)18(11-29)35-25/h2-5,8-9,18,22-26,28-29,31-33H,6-7,10-11H2,1H3

> <INCHI_KEY>
DAFXFTIFCFNTII-UHFFFAOYSA-N

> <FORMULA>
C25H28N2O8

> <MOLECULAR_WEIGHT>
484.505

> <EXACT_MASS>
484.18456587

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
50.33299046129353

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H,6H,7H,12H-indolo[2,3-a]quinolizin-4-one

> <ALOGPS_LOGP>
1.20

> <JCHEM_LOGP>
-1.2413722256666653

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.740016441785777

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.095666571663621

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7547976136596186

> <JCHEM_POLAR_SURFACE_AREA>
155.71

> <JCHEM_REFRACTIVITY>
127.68130000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.21e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6H,7H,12H-indolo[2,3-a]quinolizin-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       3.153   0.309   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.998  -0.979   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.306  -2.354   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.768  -2.442   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       1.076  -3.818   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.151  -3.642   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.458  -5.017   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.303  -6.305   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.611  -7.680   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       5.841  -6.217   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       6.686  -7.504   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.223  -7.416   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.916  -6.041   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.071  -4.753   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       9.034  -3.552   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      10.475  -4.097   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.843  -3.391   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      11.916  -1.853   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      13.285  -1.147   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      13.358   0.391   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      14.727   1.097   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.800   2.635   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      13.505   3.468   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      16.023   0.265   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      17.392   0.970   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      15.950  -1.274   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      17.245  -2.106   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      14.581  -1.979   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      14.508  -3.518   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      13.139  -4.223   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      13.066  -5.762   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.697  -6.467   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.401  -5.635   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.533  -4.841   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.688  -3.554   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    6                                                  
CONECT    4    3    5                                                       
CONECT    5    4                                                            
CONECT    6    3    7   35                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   34                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   33                                                  
CONECT   14   13   15   34                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   33                                                  
CONECT   17   16   18   30                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   28                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   19   29                                                  
CONECT   29   28                                                            
CONECT   30   17   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   13   16                                                  
CONECT   34   14   10   35                                                  
CONECT   35   34    6                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₂₈N₂O₈

Average Mass

484.5050 Da

Monoisotopic Mass

484.18457 Da

IUPAC Name

2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H,6H,7H,12H-indolo[2,3-a]quinolizin-4-one

Traditional Name

2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6H,7H,12H-indolo[2,3-a]quinolizin-4-one

CAS Registry Number

Not Available

SMILES

CC=C(CO)C1=CC(=O)N2CCC3=C(NC4=C(OC5OC(CO)C(O)C(O)C5O)C=CC=C34)C2=C1

InChI Identifier

InChI=1S/C25H28N2O8/c1-2-12(10-28)13-8-16-20-15(6-7-27(16)19(30)9-13)14-4-3-5-17(21(14)26-20)34-25-24(33)23(32)22(31)18(11-29)35-25/h2-5,8-9,18,22-26,28-29,31-33H,6-7,10-11H2,1H3

InChI Key

DAFXFTIFCFNTII-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Nauclea officinalis	LOTUS Database	35616633

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
Beta-carboline
Pyridoindole
Hexose monosaccharide
O-glycosyl compound
3-alkylindole
Quinolizine
Indole
Indole or derivatives
Pyridinone
Monosaccharide
Oxane
Benzenoid
Pyridine
Heteroaromatic compound
Pyrrole
Lactam
Secondary alcohol
Polyol
Organoheterocyclic compound
Azacycle
Oxacycle
Acetal
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Primary alcohol
Alcohol
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	1.2	ALOGPS
logP	-1.2	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	12.1	ChemAxon
pKa (Strongest Basic)	-1.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	155.71 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	127.68 m³·mol⁻¹	ChemAxon
Polarizability	50.33 Å³	ChemAxon
Number of Rings	5	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

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-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one (NP0258561)

MOL for NP0258561 (2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one)

3D MOL for NP0258561 (2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one)

3D SDF for NP0258561 (2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one)

3D-SDF for NP0258561 (2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one)

PDB for NP0258561 (2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one)

3D PDB for NP0258561 (2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one)

SMILES for NP0258561 (2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one)

INCHI for NP0258561 (2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one)

Structure for NP0258561 (2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one)

3D Structure for NP0258561 (2-(1-hydroxybut-2-en-2-yl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6h,7h,12h-indolo[2,3-a]quinolizin-4-one)