NP-MRD: Showing NP-Card for Paulliniogenin B (NP0353500)

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Record Information

Version

2.0

Created at

2026-02-22 10:49:08 UTC

Updated at

2026-02-22 12:01:27 UTC

NP-MRD ID

NP0353500

Natural Product DOI

https://doi.org/10.57994/8008

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Paulliniogenin B

Description

Paulliniogenin B was first documented in 2021 (PMID: 33974421).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03232308012D          

 36 42  0  0  1  0            999 V2000
    5.7846    0.5862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5423   -0.2024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3464   -1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5523   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9102   -0.7277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1654   -1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5280   -0.5841    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0243    0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6087    0.7946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7625    0.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775    0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7336    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7222   -0.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472   -0.3595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1715    0.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7642   -0.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9805    0.4018    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3880    0.9759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228    1.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0269    1.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5887    0.7707    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9122    1.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4136    0.7839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6812    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4698   -0.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0216   -0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0348   -1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3271   -1.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3464   -0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8878    1.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5402    2.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0143    2.8824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8361    2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102    3.4845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1837    2.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7095    1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
  5 14  1  0  0  0  0
 15  9  1  0  0  0  0
 15  5  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17  2  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  2  0  0  0  0
  2 29  1  0  0  0  0
 21 29  1  0  0  0  0
 23 30  1  1  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 30 36  1  0  0  0  0
M  END


  Mrv2104 03232308012D          

 36 42  0  0  1  0            999 V2000
    5.7846    0.5862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5423   -0.2024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3464   -1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5523   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9102   -0.7277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1654   -1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5280   -0.5841    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0243    0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6087    0.7946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7625    0.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775    0.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7336    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7222   -0.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472   -0.3595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1715    0.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7642   -0.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9805    0.4018    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3880    0.9759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228    1.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0269    1.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5887    0.7707    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9122    1.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4136    0.7839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6812    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4698   -0.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0216   -0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0348   -1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3271   -1.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3464   -0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8878    1.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5402    2.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0143    2.8824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8361    2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3102    3.4845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1837    2.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7095    1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
  5 14  1  0  0  0  0
 15  9  1  0  0  0  0
 15  5  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17  2  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  2  0  0  0  0
  2 29  1  0  0  0  0
 21 29  1  0  0  0  0
 23 30  1  1  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 30 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353500

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CC[C@@]34C[C@@H]5C[C@@H](OC(C)(O5)O3)[C@]4(C)[C@@]1([H])CC[C@]1(C)[C@H](C(=O)C(OC)=C21)C1=COC(=O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C27H32O7/c1-24-9-8-17-16(21(24)23(30-4)22(29)20(24)14-5-6-19(28)31-13-14)7-10-27-12-15-11-18(25(17,27)2)33-26(3,32-15)34-27/h5-6,13,15-18,20H,7-12H2,1-4H3/t15-,16+,17-,18+,20-,24+,25-,26?,27-/m0/s1

> <INCHI_KEY>
JINWADDJGSETFJ-WEADWXOQSA-N

> <FORMULA>
C27H32O7

> <MOLECULAR_WEIGHT>
468.546

> <EXACT_MASS>
468.21480337

$$$$

HEADER    PROTEIN                                 23-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-MAR-23         0                                  
HETATM    1  H   UNK     0      10.798   1.094   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0      10.346  -0.378   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.980  -1.905   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.498  -2.433   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.299  -1.358   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.909  -2.202   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.719  -1.090   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.645   0.402   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.736   1.483   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.157   1.821   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.438   0.357   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.236   1.320   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.215  -0.625   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       5.875  -0.671   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       7.787   0.233   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.893  -0.838   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.297   0.750   0.000  0.00  0.00           C+0
HETATM   18  H   UNK     0       8.191   1.822   0.000  0.00  0.00           H+0
HETATM   19  C   UNK     0       9.749   2.222   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.250   2.566   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.299   1.439   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.903   2.855   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      13.839   1.463   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      14.338   0.007   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      15.810  -0.446   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      13.107  -0.919   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      13.132  -2.458   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      11.811  -3.250   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.847  -0.033   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      14.724   2.724   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.075   4.120   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      14.960   5.381   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      16.494   5.244   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      17.379   6.504   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      17.143   3.848   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      16.258   2.587   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   17   29                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   14   15                                             
CONECT    6    5    7                                                       
CONECT    7    6    8   13                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11    7                                                       
CONECT   14   11    5                                                       
CONECT   15    9    5   16   17                                             
CONECT   16   15                                                            
CONECT   17   15    2   18   19                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23   29                                             
CONECT   22   21                                                            
CONECT   23   21   24   30                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26    2   21                                                  
CONECT   30   23   31   36                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   30                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₂O₇

Average Mass

468.5460 Da

Monoisotopic Mass

468.21480 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC[C@@]34C[C@@H]5C[C@@H](OC(C)(O5)O3)[C@]4(C)[C@@]1([H])CC[C@]1(C)[C@H](C(=O)C(OC)=C21)C1=COC(=O)C=C1

InChI Identifier

InChI=1S/C27H32O7/c1-24-9-8-17-16(21(24)23(30-4)22(29)20(24)14-5-6-19(28)31-13-14)7-10-27-12-15-11-18(25(17,27)2)33-26(3,32-15)34-27/h5-6,13,15-18,20H,7-12H2,1-4H3/t15-,16+,17-,18+,20-,24+,25-,26?,27-/m0/s1

InChI Key

JINWADDJGSETFJ-WEADWXOQSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Co-culture 'Bersama abyssinica subsp. abyssinica' & 'Bersama abyssinica subsp. paullinioides'		Not Available

Chemical Taxonomy

Classification

Not classified

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

External Links

Not Available

References

General References

Showing NP-Card for Paulliniogenin B (NP0353500)

MOL for NP0353500 (Paulliniogenin B)

3D MOL for NP0353500 (Paulliniogenin B)

3D SDF for NP0353500 (Paulliniogenin B)

3D-SDF for NP0353500 (Paulliniogenin B)

PDB for NP0353500 (Paulliniogenin B)

3D PDB for NP0353500 (Paulliniogenin B)

SMILES for NP0353500 (Paulliniogenin B)

INCHI for NP0353500 (Paulliniogenin B)

Structure for NP0353500 (Paulliniogenin B)

3D Structure for NP0353500 (Paulliniogenin B)