NP-MRD: Showing NP-Card for Alepterolic acid (NP0140465)

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Record Information

Version

2.0

Created at

2022-06-29 21:35:46 UTC

Updated at

2022-06-29 21:35:46 UTC

NP-MRD ID

NP0140465

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Alepterolic acid

Description

Alepterolic acid, also known as alepterolate, belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Alepterolic acid is found in Pinus pumila and Pinus strobus. Alepterolic acid was first documented in 2008 (PMID: 18383630). Based on a literature review a small amount of articles have been published on Alepterolic acid (PMID: 34833913) (PMID: 32200331) (PMID: 30319238) (PMID: 29783680).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 55 56  0  0  0  0  0  0  0  0999 V2000
    1.1705    2.2828   -0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    1.7893    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8791    2.6403    0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1550    1.8509    0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0554    0.3829    0.4008 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3530   -0.2156   -0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    0.1009   -1.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4404    0.3764    0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3584   -1.7015    0.1478 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4470   -2.4368   -1.0525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -2.1493    0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8547   -1.7226    0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8446   -0.2986   -0.1256 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6714   -0.3057   -1.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    0.3876    0.5110 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6645   -0.2272    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428    0.4855    1.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0695   -0.1604    0.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -1.5757    1.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813    0.5089    0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3807   -0.0502    0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6608   -1.2616    0.2770 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3618    0.7545   -0.5251 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0976    3.3330   -1.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9795    1.7009   -1.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6979    2.9415    1.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9139    3.5452   -0.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6817    2.2066   -0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8382    2.2027    1.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717    0.1209    1.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9962    0.8007   -2.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6858    0.5656   -1.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7840   -0.8607   -2.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0204    0.4755    1.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8067    1.3434    0.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2740   -0.3556    0.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2716   -2.0288    0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3825   -2.6462   -1.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2942   -1.8530    2.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1863   -3.2712    0.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1231   -1.8666    1.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5369   -2.4442   -0.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6017    0.6921   -2.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3890   -0.9722   -2.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3308   -0.7872   -1.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1295    0.4849    1.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9947   -0.2478   -0.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7145   -1.3042    0.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5142    0.3800    2.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7776    1.5639    0.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0630   -1.6577    1.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5050   -2.1484    0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3372   -1.9888    1.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8818    1.5536    0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1240    1.0674    0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  6
 18 20  2  0
 20 21  1  0
 21 23  1  0
 21 22  2  0
 13 15  1  0
 13  5  1  0
 19 51  1  0
 19 52  1  0
 19 53  1  0
 17 49  1  0
 17 50  1  0
 16 47  1  0
 16 48  1  0
 15 46  1  1
  1 24  1  0
  1 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  1
  7 31  1  0
  7 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  1
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 14 43  1  0
 14 44  1  0
 14 45  1  0
 20 54  1  0
 23 55  1  0
M  END


  Mrv1652306292223352D          

 23 24  0  0  1  0            999 V2000
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8163   -2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416   -2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    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  2  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  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  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  6  0  0  0
 15 23  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0140465

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C)=C/C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,17-,20+/m0/s1

> <INCHI_KEY>
LNWOKEZJIRLIDO-ZJGHDVHGSA-N

> <FORMULA>
C20H32O3

> <MOLECULAR_WEIGHT>
320.473

> <EXACT_MASS>
320.23514489

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
37.45876144017214

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-5-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

> <ALOGPS_LOGP>
4.24

> <JCHEM_LOGP>
4.2487739173333345

> <ALOGPS_LOGS>
-4.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
19.489414018363743

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.816421359164575

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8351312771654636

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
93.43669999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.39e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-5-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUN-22         0                                  
HETATM    1  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.390  -4.440   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.944  -4.440   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.334   0.770   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    2    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   15                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14    9   16   23                                             
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   14   20   21                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   18                                                            
CONECT   23   15                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
Alepterolate	Generator

Chemical Formula

C₂₀H₃₂O₃

Average Mass

320.4730 Da

Monoisotopic Mass

320.23514 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C\C(CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C)=C/C(O)=O

InChI Identifier

InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,17-,20+/m0/s1

InChI Key

LNWOKEZJIRLIDO-ZJGHDVHGSA-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
Pinus pumila	LOTUS Database	35616633
Pinus strobus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Labdane diterpenoid
Diterpenoid
Medium-chain fatty acid
Branched fatty acid
Methyl-branched fatty acid
Hydroxy fatty acid
Fatty acyl
Fatty acid
Unsaturated fatty acid
Cyclic alcohol
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxide
Alcohol
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
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

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

10295016

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13858188

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Khan RA, Hossain R, Siyadatpanah A, Al-Khafaji K, Khalipha ABR, Dey D, Asha UH, Biswas P, Saikat ASM, Chenari HA, Wilairatana P, Islam MT: Diterpenes/Diterpenoids and Their Derivatives as Potential Bioactive Leads against Dengue Virus: A Computational and Network Pharmacology Study. Molecules. 2021 Nov 11;26(22). pii: molecules26226821. doi: 10.3390/molecules26226821. [PubMed:34833913 ]
Zhang S, Feng N, Huang J, Wang M, Zhang L, Yu J, Dai X, Cao J, Huang G: Incorporation of amino moiety to alepterolic acid improve activity against cancer cell lines: Synthesis and biological evaluation. Bioorg Chem. 2020 May;98:103756. doi: 10.1016/j.bioorg.2020.103756. Epub 2020 Mar 12. [PubMed:32200331 ]
Afolayan M, Srivedavyasasri R, Asekun OT, Familoni OB, Orishadipe A, Zulfiqar F, Ibrahim MA, Ross SA: Phytochemical study of Piliostigma thonningii, a medicinal plant grown in Nigeria. Med Chem Res. 2018 Oct;27(10):2325-2330. doi: 10.1007/s00044-018-2238-1. Epub 2018 Aug 25. [PubMed:30319238 ]
da Trindade R, da Silva JK, Setzer WN: Copaifera of the Neotropics: A Review of the Phytochemistry and Pharmacology. Int J Mol Sci. 2018 May 18;19(5):1511. doi: 10.3390/ijms19051511. [PubMed:29783680 ]
Geris R, Silva IG, Silva HH, Barison A, Rodrigues-Filho E, Ferreira AG: Diterpenoids from Copaifera reticulata Ducke with larvicidal activity against Aedes aegypti (L.) (Diptera, Culicidae). Rev Inst Med Trop Sao Paulo. 2008 Jan-Feb;50(1):25-8. doi: 10.1590/s0036-46652008000100006. [PubMed:18383630 ]

Showing NP-Card for Alepterolic acid (NP0140465)

MOL for NP0140465 (Alepterolic acid)

3D MOL for NP0140465 (Alepterolic acid)

3D SDF for NP0140465 (Alepterolic acid)

3D-SDF for NP0140465 (Alepterolic acid)

PDB for NP0140465 (Alepterolic acid)

3D PDB for NP0140465 (Alepterolic acid)

SMILES for NP0140465 (Alepterolic acid)

INCHI for NP0140465 (Alepterolic acid)

Structure for NP0140465 (Alepterolic acid)

3D Structure for NP0140465 (Alepterolic acid)