NP-MRD: Showing NP-Card for methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate (NP0273969)

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Record Information

Version

2.0

Created at

2022-09-08 21:11:03 UTC

Updated at

2022-09-08 21:11:03 UTC

NP-MRD ID

NP0273969

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate

Description

3,4,5,6-Tetradehydrogeissoschizine-17-O-beta-D-glucopyranoside belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety. methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate is found in Rauvolfia serpentina. methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate was first documented in 2002 (PMID: 12423893). Based on a literature review very few articles have been published on 3,4,5,6-Tetradehydrogeissoschizine-17-O-beta-D-glucopyranoside.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082223112D          

 37 41  0  0  1  0            999 V2000
    0.2776   -3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7303   -2.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5539   -2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0066   -2.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8302   -2.1233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2829   -1.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1066   -1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4776   -2.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2734   -2.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9675   -1.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7007   -2.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7399   -3.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0459   -3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3126   -3.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0249   -2.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4723   -4.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6669   -4.9765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6486   -4.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0846   -3.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1960   -4.8351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6277   -4.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
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  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
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 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
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 28 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  1  0  0  0
 20 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END

     RDKit          3D

 67 71  0  0  0  0  0  0  0  0999 V2000
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    2.4496    2.1205    0.0906 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309082223112D          

 37 41  0  0  1  0            999 V2000
    0.2776   -3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  6  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  1  0  0  0
 20 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0273969

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C(=C\O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\[C@H]1CC2=C3N=C4C=CC=CC4=C3C=CN2C\C1=C\C

> <INCHI_IDENTIFIER>
InChI=1S/C27H30N2O8/c1-3-14-11-29-9-8-16-15-6-4-5-7-19(15)28-22(16)20(29)10-17(14)18(26(34)35-2)13-36-27-25(33)24(32)23(31)21(12-30)37-27/h3-9,13,17,21,23-25,27,30-33H,10-12H2,1-2H3/b14-3-,18-13+/t17-,21+,23+,24-,25+,27+/m0/s1

> <INCHI_KEY>
RQOSKKZXFRIGDC-FWWAYKISSA-N

> <FORMULA>
C27H30N2O8

> <MOLECULAR_WEIGHT>
510.543

> <EXACT_MASS>
510.200215934

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
53.52257004320859

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (2E)-2-[(2S,3E)-3-ethylidene-1H,2H,3H,4H-indolo[2,3-a]quinolizin-2-yl]-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate

> <JCHEM_LOGP>
1.335156776

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.19648132417596

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.201175639287571

> <JCHEM_PKA_STRONGEST_BASIC>
3.4853329095991663

> <JCHEM_POLAR_SURFACE_AREA>
143.5

> <JCHEM_REFRACTIVITY>
132.4547

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
methyl (2E)-2-[(2S,3E)-3-ethylidene-1H,2H,4H-indolo[2,3-a]quinolizin-2-yl]-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       0.518  -6.363   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.363  -5.075   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.901  -5.163   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.746  -3.876   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       5.283  -3.964   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       6.128  -2.676   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.666  -2.764   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.358  -4.140   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.844  -4.545   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.139  -3.713   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.508  -4.419   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.581  -5.957   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.286  -6.789   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.917  -6.084   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       8.477  -6.629   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       7.513  -5.427   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.976  -5.339   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.131  -6.627   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.593  -6.539   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.748  -7.826   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.441  -9.202   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       4.978  -9.290   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       5.671 -10.665   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       7.208 -10.753   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       7.901 -12.129   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.438 -12.217   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      10.283 -10.929   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.056 -13.416   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       7.748 -14.792   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       5.518 -13.328   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.673 -14.616   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       4.826 -11.953   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       3.288 -11.865   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       1.211  -7.738   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -0.158  -7.032   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       0.366  -9.026   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -1.172  -8.938   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   19                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   17                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   16                                                  
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    9   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15    8   17                                                  
CONECT   17   16    5   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18    3   20                                                  
CONECT   20   19   21   34                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   32                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   25   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   23   33                                                  
CONECT   33   32                                                            
CONECT   34   20   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Value	Source
3,4,5,6-Tetradehydrogeissoschizine-17-O-b-D-glucopyranoside	Generator
3,4,5,6-Tetradehydrogeissoschizine-17-O-β-D-glucopyranoside	Generator

Chemical Formula

C₂₇H₃₀N₂O₈

Average Mass

510.5430 Da

Monoisotopic Mass

510.20022 Da

IUPAC Name

methyl (2E)-2-[(2S,3E)-3-ethylidene-1H,2H,3H,4H-indolo[2,3-a]quinolizin-2-yl]-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate

Traditional Name

methyl (2E)-2-[(2S,3E)-3-ethylidene-1H,2H,4H-indolo[2,3-a]quinolizin-2-yl]-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate

CAS Registry Number

Not Available

SMILES

COC(=O)C(=C\O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\[C@H]1CC2=C3N=C4C=CC=CC4=C3C=CN2C\C1=C\C

InChI Identifier

InChI=1S/C27H30N2O8/c1-3-14-11-29-9-8-16-15-6-4-5-7-19(15)28-22(16)20(29)10-17(14)18(26(34)35-2)13-36-27-25(33)24(32)23(31)21(12-30)37-27/h3-9,13,17,21,23-25,27,30-33H,10-12H2,1-2H3/b14-3-,18-13+/t17-,21+,23+,24-,25+,27+/m0/s1

InChI Key

RQOSKKZXFRIGDC-FWWAYKISSA-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
Rauvolfia serpentina	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyridoindoles

Direct Parent

Beta carbolines

Alternative Parents

Substituents

Beta-carboline
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Quinolizine
Indole
Sugar acid
Monosaccharide
Oxane
Pyridine
Benzenoid
Enoate ester
Methyl ester
Heteroaromatic compound
Pyrrole
Vinylogous ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Carboxylic acid ester
Oxacycle
Azacycle
Polyol
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Acetal
Primary alcohol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Alcohol
Organic nitrogen 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	1.34	ChemAxon
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	3.49	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	143.5 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	132.45 m³·mol⁻¹	ChemAxon
Polarizability	53.52 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	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

101217063

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wachsmuth O, Matusch R: Anhydronium bases from Rauvolfia serpentina. Phytochemistry. 2002 Nov;61(6):705-9. doi: 10.1016/s0031-9422(02)00372-2. [PubMed:12423893 ]
LOTUS database [Link]

Showing NP-Card for methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate (NP0273969)

MOL for NP0273969 (methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate)

3D MOL for NP0273969 (methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate)

3D SDF for NP0273969 (methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate)

3D-SDF for NP0273969 (methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate)

PDB for NP0273969 (methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate)

3D PDB for NP0273969 (methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate)

SMILES for NP0273969 (methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate)

INCHI for NP0273969 (methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate)

Structure for NP0273969 (methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate)

3D Structure for NP0273969 (methyl (2e)-2-[(2s,3e)-3-ethylidene-1h,2h,4h-indolo[2,3-a]quinolizin-2-yl]-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-2-enoate)