NP-MRD: Showing NP-Card for Tinobaenzin B (NP0353271)

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Record Information

Version

2.0

Created at

2026-02-19 19:46:14 UTC

Updated at

2026-02-19 20:15:40 UTC

NP-MRD ID

NP0353271

Natural Product DOI

https://doi.org/10.57994/7716

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Tinobaenzin B

Description

Tinobaenzin B was first documented in 2019 (PMID: 31135149).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03202316582D          

 35 39  0  0  1  0            999 V2000
    4.1356   -2.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1765   -1.9326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3802   -2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9289   -1.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4463   -0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2305   -0.0188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2173   -1.1086    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2582   -0.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0136   -0.8928    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7158   -0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3861   -0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2098   -0.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6611   -0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4848   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8573   -0.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9361   -1.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5636   -2.1831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1912   -2.9192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7399   -2.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2886   -1.5379    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9161   -2.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4649   -1.5834    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8373   -0.8473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9475   -2.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0149   -2.8737    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2809   -3.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6546   -2.3527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6091   -1.5290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3478   -2.8001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1171   -2.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2439   -1.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1365   -3.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3127   -3.6431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8653   -4.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0414   -4.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 13  1  0  0  0  0
 20 21  1  6  0  0  0
 22 20  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
  2 24  1  0  0  0  0
 25 17  1  6  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 33 32  1  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  1  0  0  0  0
M  END


  Mrv2104 03202316582D          

 35 39  0  0  1  0            999 V2000
    4.1356   -2.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1765   -1.9326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3802   -2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9289   -1.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4463   -0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2305   -0.0188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2173   -1.1086    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2582   -0.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0136   -0.8928    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7158   -0.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3861   -0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2098   -0.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6611   -0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4848   -0.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8573   -0.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9361   -1.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5636   -2.1831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1912   -2.9192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7399   -2.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2886   -1.5379    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9161   -2.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4649   -1.5834    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8373   -0.8473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9475   -2.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0149   -2.8737    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2809   -3.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6546   -2.3527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6091   -1.5290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3478   -2.8001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1171   -2.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2439   -1.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1365   -3.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3127   -3.6431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8653   -4.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0414   -4.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  5  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 13  1  0  0  0  0
 20 21  1  6  0  0  0
 22 20  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
  2 24  1  0  0  0  0
 25 17  1  6  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 33 32  1  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353271

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12COC(=O)[C@@]1(O)[C@]1(C)CC=C3C(=O)O[C@@]([H])(C[C@@]3(C)[C@]1([H])C2)[C@]1(O)[C@@H](O)[C@H](OC)O[C@@H]1OC

> <INCHI_IDENTIFIER>
InChI=1S/C22H30O10/c1-19-8-13(21(26)14(23)16(28-3)32-18(21)29-4)31-15(24)11(19)5-6-20(2)12(19)7-10-9-30-17(25)22(10,20)27/h5,10,12-14,16,18,23,26-27H,6-9H2,1-4H3/t10-,12-,13-,14-,16+,18-,19+,20+,21-,22+/m0/s1

> <INCHI_KEY>
ZQFBLUNUUJHEHF-YQYLKLBOSA-N

> <FORMULA>
C22H30O10

> <MOLECULAR_WEIGHT>
454.472

> <EXACT_MASS>
454.183897166

$$$$

HEADER    PROTEIN                                 20-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-23         0                                  
HETATM    1  H   UNK     0       7.720  -5.146   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       7.796  -3.607   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.310  -4.010   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       5.467  -2.721   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.433  -1.521   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.030  -0.035   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       7.872  -2.069   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       7.949  -0.531   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       9.359  -1.667   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.803  -0.230   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.054  -0.292   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.592  -0.208   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.434  -1.497   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.972  -1.412   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      14.667  -0.038   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      14.814  -2.701   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      14.119  -4.075   0.000  0.00  0.00           C+0
HETATM   18  H   UNK     0      13.423  -5.449   0.000  0.00  0.00           H+0
HETATM   19  C   UNK     0      12.581  -4.160   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.739  -2.871   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.043  -4.245   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.201  -2.956   0.000  0.00  0.00           C+0
HETATM   23  H   UNK     0      10.896  -1.582   0.000  0.00  0.00           H+0
HETATM   24  C   UNK     0       9.235  -4.155   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.961  -5.364   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      13.591  -6.067   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      16.155  -4.392   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      16.070  -2.854   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      17.449  -5.227   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      18.885  -4.671   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      19.122  -3.149   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      17.055  -6.715   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      15.517  -6.800   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      14.682  -8.094   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      13.144  -8.018   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7   24                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    2    8    9                                             
CONECT    8    7                                                            
CONECT    9    7   10   11   22                                             
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   20                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19   25                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   13   21   22                                             
CONECT   21   20                                                            
CONECT   22   20    9   23   24                                             
CONECT   23   22                                                            
CONECT   24   22    2                                                       
CONECT   25   17   26   27   33                                             
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29   33                                                       
CONECT   33   32   25   34                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₃₀O₁₀

Average Mass

454.4720 Da

Monoisotopic Mass

454.18390 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@]12COC(=O)[C@@]1(O)[C@]1(C)CC=C3C(=O)O[C@@]([H])(C[C@@]3(C)[C@]1([H])C2)[C@]1(O)[C@@H](O)[C@H](OC)O[C@@H]1OC

InChI Identifier

InChI=1S/C22H30O10/c1-19-8-13(21(26)14(23)16(28-3)32-18(21)29-4)31-15(24)11(19)5-6-20(2)12(19)7-10-9-30-17(25)22(10,20)27/h5,10,12-14,16,18,23,26-27H,6-9H2,1-4H3/t10-,12-,13-,14-,16+,18-,19+,20+,21-,22+/m0/s1

InChI Key

ZQFBLUNUUJHEHF-YQYLKLBOSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 400.0, Acetone-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-19	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100.0, Acetone-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-19	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Tinospora baenzigeri		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 Tinobaenzin B (NP0353271)

MOL for NP0353271 (Tinobaenzin B)

3D MOL for NP0353271 (Tinobaenzin B)

3D SDF for NP0353271 (Tinobaenzin B)

3D-SDF for NP0353271 (Tinobaenzin B)

PDB for NP0353271 (Tinobaenzin B)

3D PDB for NP0353271 (Tinobaenzin B)

SMILES for NP0353271 (Tinobaenzin B)

INCHI for NP0353271 (Tinobaenzin B)

Structure for NP0353271 (Tinobaenzin B)

3D Structure for NP0353271 (Tinobaenzin B)