NP-MRD: Showing NP-Card for Betulonic acid (NP0050093)

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Record Information

Version

2.0

Created at

2022-03-17 21:23:08 UTC

Updated at

2022-03-17 21:23:08 UTC

NP-MRD ID

NP0050093

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Betulonic acid

Description

Betulonic acid, also known as betulonate, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Betulonic acid is found in Akania lucens, Betula ermanii, Betula pendula, Betula schmidtii, Boronia gracilipes, Brucea javanica, Ceriops tagal , Chisocheton macrophyllus, Corymbia citriodora, Duboisia myoporoides, Eucalyptus tereticornis, Ficus microcarpa , Ixora coccinea, Himalaiella deltoidea, Lantana camara, Liquidambar formosana, Liquidambar styraciflua, Maytenus boaria, Maytenus cuzcoina, Melaleuca leucadendra, Nothofagus pumilio, Ozothamnus stirlingii, Pongamia pinnata, Rhododendron barbatum, Rhus chinensis, Acacia mellifera , Stauntonia hexahylla, Stauntonia hexaphylla, Symphyopappus compressus, Vatica cinerea, Viscum coloratum, Ziziphus jujuba and Ziziphus mauritiana. Betulonic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652301212022253D          

 33 37  0  0  0  0            999 V2000
   -3.7063   -2.8781   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3369   -2.5581    1.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6604    0.9719    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5555   -0.9865   -1.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    0.4457    2.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5681   -0.2048   -2.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6645    2.1489    0.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0815   -1.1128    0.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -0.6028    1.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3335    0.1013    0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0726    1.2036   -0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1635   -2.3383    1.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723   -1.8502    1.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586    1.0358   -1.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9070    0.7696   -1.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2801    1.9558   -1.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6713    1.7515   -1.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2830   -2.0066    0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0392   -0.5536    0.6099 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6137    0.0628    0.2142 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4382   -0.1219   -0.3240 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1492   -0.3209    0.4631 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1333   -1.2178    1.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0043   -0.0699   -0.2949 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8237    2.2529    0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069   -0.2914   -0.0965 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5833   -0.3953    0.8728 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6965    0.5919   -0.8394 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7073    0.8569   -0.2942 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5290    1.2674   -0.7560 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0510   -1.0331    1.8197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5460    2.2839    1.4635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5561    3.3780   -0.1882 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 18  1  0  0  0  0
  3 26  1  0  0  0  0
  4 26  1  0  0  0  0
 27  5  1  1  0  0  0
 28  6  1  6  0  0  0
 29  7  1  1  0  0  0
  8  9  1  0  0  0  0
 20  8  1  6  0  0  0
 22  9  1  1  0  0  0
 10 15  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 21 11  1  1  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 27  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 30  1  0  0  0  0
 19 18  1  6  0  0  0
 19 24  1  0  0  0  0
 20 24  1  0  0  0  0
 20 28  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 27  1  0  0  0  0
 22 29  1  0  0  0  0
 23 26  1  0  0  0  0
 23 31  2  0  0  0  0
 24 30  1  1  0  0  0
 25 30  1  0  0  0  0
 25 32  2  0  0  0  0
 25 33  1  0  0  0  0
 28 29  1  0  0  0  0
M  END


  Mrv1652301212022253D          

 33 37  0  0  0  0            999 V2000
   -3.7063   -2.8781   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3369   -2.5581    1.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6604    0.9719    0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5555   -0.9865   -1.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    0.4457    2.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5681   -0.2048   -2.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6645    2.1489    0.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0815   -1.1128    0.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -0.6028    1.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3335    0.1013    0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0726    1.2036   -0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1635   -2.3383    1.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723   -1.8502    1.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586    1.0358   -1.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9070    0.7696   -1.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2801    1.9558   -1.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6713    1.7515   -1.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2830   -2.0066    0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0392   -0.5536    0.6099 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6137    0.0628    0.2142 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4382   -0.1219   -0.3240 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1492   -0.3209    0.4631 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1333   -1.2178    1.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0043   -0.0699   -0.2949 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8237    2.2529    0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069   -0.2914   -0.0965 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5833   -0.3953    0.8728 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6965    0.5919   -0.8394 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7073    0.8569   -0.2942 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5290    1.2674   -0.7560 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0510   -1.0331    1.8197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5460    2.2839    1.4635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5561    3.3780   -0.1882 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 18  1  0  0  0  0
  3 26  1  0  0  0  0
  4 26  1  0  0  0  0
 27  5  1  1  0  0  0
 28  6  1  6  0  0  0
 29  7  1  1  0  0  0
  8  9  1  0  0  0  0
 20  8  1  6  0  0  0
 22  9  1  1  0  0  0
 10 15  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 21 11  1  1  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 27  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 30  1  0  0  0  0
 19 18  1  6  0  0  0
 19 24  1  0  0  0  0
 20 24  1  0  0  0  0
 20 28  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 27  1  0  0  0  0
 22 29  1  0  0  0  0
 23 26  1  0  0  0  0
 23 31  2  0  0  0  0
 24 30  1  1  0  0  0
 25 30  1  0  0  0  0
 25 32  2  0  0  0  0
 25 33  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050093

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1

> <INCHI_KEY>
SLJTWDNVZKIDAU-SVAFSPIFSA-N

> <FORMULA>
C30H46O3

> <MOLECULAR_WEIGHT>
454.695

> <EXACT_MASS>
454.344695341

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
53.89357922263927

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,5S,8R,9R,10R,13R,14R,19R)-1,2,14,18,18-pentamethyl-17-oxo-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-5-carboxylic acid

> <ALOGPS_LOGP>
5.81

> <JCHEM_LOGP>
7.203266785666668

> <ALOGPS_LOGS>
-6.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
19.96217044255587

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.748312444687208

> <JCHEM_PKA_STRONGEST_BASIC>
-7.4708849644829325

> <JCHEM_POLAR_SURFACE_AREA>
54.370000000000005

> <JCHEM_REFRACTIVITY>
131.80319999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.39e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,5S,8R,9R,10R,13R,14R,19R)-1,2,14,18,18-pentamethyl-17-oxo-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-5-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 21-JAN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-JAN-20         0                                  
HETATM    1  C   UNK     0      -3.706  -2.878  -0.277  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.337  -2.558   1.442  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.660   0.972   0.133  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.556  -0.987  -1.303  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.933   0.446   2.068  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.568  -0.205  -2.073  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.665   2.149   0.436  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.081  -1.113   0.968  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.208  -0.603   1.642  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.333   0.101   0.079  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.073   1.204  -0.914  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.163  -2.338   1.175  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.772  -1.850   1.349  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.659   1.036  -1.483  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.907   0.770  -1.241  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.280   1.956  -1.248  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.671   1.752  -1.859  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.283  -2.007   0.509  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.039  -0.554   0.610  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.614   0.063   0.214  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.438  -0.122  -0.324  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.149  -0.321   0.463  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.133  -1.218   1.058  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.004  -0.070  -0.295  0.00  0.00           C+0
HETATM   25  C   UNK     0      -3.824   2.253   0.261  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.907  -0.291  -0.097  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.583  -0.395   0.873  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.697   0.592  -0.839  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.707   0.857  -0.294  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.529   1.267  -0.756  0.00  0.00           C+0
HETATM   31  O   UNK     0       6.051  -1.033   1.820  0.00  0.00           O+0
HETATM   32  O   UNK     0      -3.546   2.284   1.464  0.00  0.00           O+0
HETATM   33  O   UNK     0      -4.556   3.378  -0.188  0.00  0.00           O+0
CONECT    1   18                                                            
CONECT    2   18                                                            
CONECT    3   26                                                            
CONECT    4   26                                                            
CONECT    5   27                                                            
CONECT    6   28                                                            
CONECT    7   29                                                            
CONECT    8    9   20                                                       
CONECT    9    8   22                                                       
CONECT   10   15   19                                                       
CONECT   11   14   21                                                       
CONECT   12   13   23                                                       
CONECT   13   12   27                                                       
CONECT   14   11   29                                                       
CONECT   15   10   30                                                       
CONECT   16   17   28                                                       
CONECT   17   16   30                                                       
CONECT   18    1    2   19                                                  
CONECT   19   10   18   24                                                  
CONECT   20    8   24   28                                                  
CONECT   21   11   26   27                                                  
CONECT   22    9   27   29                                                  
CONECT   23   12   26   31                                                  
CONECT   24   19   20   30                                                  
CONECT   25   30   32   33                                                  
CONECT   26    3    4   21   23                                             
CONECT   27    5   13   21   22                                             
CONECT   28    6   16   20   29                                             
CONECT   29    7   14   22   28                                             
CONECT   30   15   17   24   25                                             
CONECT   31   23                                                            
CONECT   32   25                                                            
CONECT   33   25                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   74    0
END

View in JSmol

Synonyms

Value	Source
Betulonate	Generator

Chemical Formula

C₃₀H₄₆O₃

Average Mass

454.6950 Da

Monoisotopic Mass

454.34470 Da

IUPAC Name

(1R,2R,5S,8R,9R,10R,13R,14R,19R)-1,2,14,18,18-pentamethyl-17-oxo-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-5-carboxylic acid

Traditional Name

(1R,2R,5S,8R,9R,10R,13R,14R,19R)-1,2,14,18,18-pentamethyl-17-oxo-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-5-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O

InChI Identifier

InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1

InChI Key

SLJTWDNVZKIDAU-SVAFSPIFSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Akania lucens	Plant	KNApSAcK
Betula ermanii	LOTUS Database	35616633
Betula pendula	LOTUS Database	35616633
Betula schmidtii	LOTUS Database	35616633
Boronia gracilipes	LOTUS Database	35616633
Brucea javanica	LOTUS Database	35616633
Ceriops tagal	Plant	KNApSAcK
Chisocheton macrophyllus	LOTUS Database	35616633
Corymbia citriodora	LOTUS Database	35616633
Duboisia myoporoides	LOTUS Database	35616633
Eucalyptus tereticornis	LOTUS Database	35616633
Ficus microcarpa	Plant	KNApSAcK
Ixora coccinea	LOTUS Database	35616633
Jurinea deltoidea	LOTUS Database	35616633
Lantana camara	LOTUS Database	35616633
Liquidambar formosana	LOTUS Database	35616633
Liquidambar styraciflua	LOTUS Database	35616633
Maytenus boaria	LOTUS Database	35616633
Maytenus cuzcoina	Plant	KNApSAcK
Melaleuca leucadendra	LOTUS Database	35616633
Nothofagus pumilio	Plant	KNApSAcK
Ozothamnus stirlingii	LOTUS Database	35616633
Pongamia pinnata	LOTUS Database	35616633
Rhododendron barbatum	LOTUS Database	35616633
Rhus chinensis	LOTUS Database	35616633
Senegalia mellifera	Plant	KNApSAcK
Stauntonia hexahylla	Plant	KNApSAcK
Stauntonia hexaphylla	LOTUS Database	35616633
Symphyopappus compressus	LOTUS Database	35616633
Vatica cinerea	Plant	KNApSAcK
Viscum coloratum	LOTUS Database	35616633
Ziziphus jujuba	LOTUS Database	35616633
Ziziphus mauritiana	LOTUS Database	35616633
Ziziphus zizyphus	FooDB	PHYTOHUB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
18-oxosteroid
18-hydroxysteroid
Hydroxysteroid
Oxosteroid
Steroid
Ketone
Cyclic ketone
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxide
Carbonyl group
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	5.81	ALOGPS
logP	7.2	ChemAxon
logS	-6.5	ALOGPS
pKa (Strongest Acidic)	4.75	ChemAxon
pKa (Strongest Basic)	-7.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	54.37 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	131.8 m³·mol⁻¹	ChemAxon
Polarizability	53.89 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

109508

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

122844

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Betulonic acid (NP0050093)

MOL for NP0050093 (Betulonic acid)

3D MOL for NP0050093 (Betulonic acid)

3D SDF for NP0050093 (Betulonic acid)

3D-SDF for NP0050093 (Betulonic acid)

PDB for NP0050093 (Betulonic acid)

3D PDB for NP0050093 (Betulonic acid)

SMILES for NP0050093 (Betulonic acid)

INCHI for NP0050093 (Betulonic acid)

Structure for NP0050093 (Betulonic acid)

3D Structure for NP0050093 (Betulonic acid)