NP-MRD: Showing NP-Card for Teferidin (NP0064416)

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Record Information

Version

2.0

Created at

2022-04-28 08:39:09 UTC

Updated at

2022-04-28 08:39:09 UTC

NP-MRD ID

NP0064416

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Teferidin

Description

Teferdin belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Teferidin is found in Ferula communis, Ferula elaeochytris, Ferula hermonis , Ferula rigidula and Ferula sinaica. Teferidin was first documented in 2005 (PMID: 15920458). Based on a literature review very few articles have been published on Teferdin (PMID: 16970966).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 55 57  0  0  0  0  0  0  0  0999 V2000
   -1.6402   -1.3218    3.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4771   -1.7183    2.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6016   -1.8558    1.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8868   -2.2278    0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9201   -1.6201   -0.8137 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2343   -2.7198   -1.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458   -0.7506   -1.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8188    0.4553   -2.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7124    0.4496   -1.0726 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4829    0.3403   -1.7455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7273    1.7964   -0.3800 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6006    2.8733   -1.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719    2.0330    0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9885   -0.6713   -0.1229 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2149   -1.2991    0.4786 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2496   -0.3271    0.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4834   -0.4705   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6929   -1.5360   -0.6669 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285    0.5460    0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3285    1.7129    0.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2759    2.7068    0.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5002    2.4948    0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    1.3168   -0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7415    0.3328   -0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914   -1.8967    1.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8979   -0.2415    3.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4244   -1.9413    4.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6837   -1.4465    4.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4887   -1.6575    2.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9142   -3.3359    0.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9009   -1.8630   -0.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457   -2.4785   -1.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8723   -2.9566   -2.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2573   -3.6533   -0.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7594   -1.3026   -2.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6821   -0.5238   -1.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222    0.4900   -3.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4723    1.3559   -2.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4260    0.5085   -2.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1350    1.8212    0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3874    3.3715   -1.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3705    3.6710   -1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7387    2.4651   -2.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1638    3.1412    0.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020    1.7091    1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8778    1.5670   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5811   -0.2214    0.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6548   -2.1317   -0.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3755    1.8757    1.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931    3.6272    1.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2475    3.2693    0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6918    1.2041   -0.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9805   -0.5594   -1.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1418   -2.9799    1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6212   -1.4270    2.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0
 11 13  1  0
 11  9  1  0
  9 10  1  6
  9  8  1  0
  8  7  1  0
  7  5  1  0
  5  6  1  6
  5  4  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2 25  1  0
 25 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 15 14  1  0
 14  9  1  0
 14  5  1  0
 24 19  1  0
 12 41  1  0
 12 42  1  0
 12 43  1  0
 11 40  1  1
 13 44  1  0
 13 45  1  0
 13 46  1  0
 10 39  1  0
  8 37  1  0
  8 38  1  0
  7 35  1  0
  7 36  1  0
  6 32  1  0
  6 33  1  0
  6 34  1  0
  4 30  1  0
  4 31  1  0
  3 29  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
 25 54  1  0
 25 55  1  0
 15 48  1  6
 20 49  1  0
 21 50  1  0
 22 51  1  0
 23 52  1  0
 24 53  1  0
 14 47  1  1
M  END


  Mrv1652304282210392D          

 25 27  0  0  1  0            999 V2000
    0.5363   -1.1136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5363   -0.2886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1813    0.2258    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9856    0.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3436   -0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9856   -1.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1813   -1.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1686   -0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9977    1.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6025    1.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3908    1.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4189    2.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305    2.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4470    3.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0517    4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8401    3.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0237    2.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -0.0336    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7333   -0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -1.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8556    0.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6429    0.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757    1.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0853    0.7751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3890   -1.9253    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
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  1  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 20  1  0  0  0  0
 18 21  1  1  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  6  0  0  0
  1 25  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0064416

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@]1(O)CC[C@]2(C)CC=C(C)C[C@H](OC(=O)C3=CC=CC=C3)[C@@H]12

> <INCHI_IDENTIFIER>
InChI=1S/C22H30O3/c1-15(2)22(24)13-12-21(4)11-10-16(3)14-18(19(21)22)25-20(23)17-8-6-5-7-9-17/h5-10,15,18-19,24H,11-14H2,1-4H3/t18-,19+,21-,22+/m0/s1

> <INCHI_KEY>
YOLDXKHOBUWSGX-YUVXSKOASA-N

> <FORMULA>
C22H30O3

> <MOLECULAR_WEIGHT>
342.479

> <EXACT_MASS>
342.219494826

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
39.045691461115396

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl benzoate

> <ALOGPS_LOGP>
4.73

> <JCHEM_LOGP>
4.857793486333334

> <ALOGPS_LOGS>
-4.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.269328873760436

> <JCHEM_PKA_STRONGEST_BASIC>
-3.118395550617185

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
100.59570000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.53e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3R,3aS,4S,8aR)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       1.001  -2.079   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.001  -0.539   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.205   0.421   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.706   0.079   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.375  -1.309   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.706  -2.696   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.205  -3.039   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.915  -1.309   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.862   1.923   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.991   2.970   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.463   2.516   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.649   4.472   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.177   4.926   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.834   6.427   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.963   7.475   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.435   7.021   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.777   5.519   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.464  -0.063   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.369  -1.309   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.464  -2.555   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.597   0.980   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.067   0.519   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.261   2.483   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -0.159   1.447   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       0.726  -3.594   0.000  0.00  0.00           C+0
CONECT    1    2    7   20   25                                             
CONECT    2    1    3   18                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6    1                                                       
CONECT    8    5                                                            
CONECT    9    3   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12                                                       
CONECT   18    2   19   21   24                                             
CONECT   19   18   20                                                       
CONECT   20   19    1                                                       
CONECT   21   18   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   18                                                            
CONECT   25    1                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

View in JSmol

Synonyms

Value	Source
Ferutinol benzoate	MeSH

Chemical Formula

C₂₂H₃₀O₃

Average Mass

342.4790 Da

Monoisotopic Mass

342.21949 Da

IUPAC Name

(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl benzoate

Traditional Name

(3R,3aS,4S,8aR)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl benzoate

CAS Registry Number

Not Available

SMILES

CC(C)[C@]1(O)CC[C@]2(C)CC=C(C)C[C@H](OC(=O)C3=CC=CC=C3)[C@@H]12

InChI Identifier

InChI=1S/C22H30O3/c1-15(2)22(24)13-12-21(4)11-10-16(3)14-18(19(21)22)25-20(23)17-8-6-5-7-9-17/h5-10,15,18-19,24H,11-14H2,1-4H3/t18-,19+,21-,22+/m0/s1

InChI Key

YOLDXKHOBUWSGX-YUVXSKOASA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Ferula communis	LOTUS Database	35616633
Ferula elaeochytris	Plant	KNApSAcK
Ferula hermonis	Plant	KNApSAcK
Ferula rigidula	LOTUS Database	35616633
Ferula sinaica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Daucane sesquiterpenoid
Sesquiterpenoid
Benzoate ester
Benzoic acid or derivatives
Benzoyl
Monocyclic benzene moiety
Benzenoid
Tertiary alcohol
Cyclic alcohol
Carboxylic acid ester
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic 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	4.73	ALOGPS
logP	4.86	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	14.27	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	100.6 m³·mol⁻¹	ChemAxon
Polarizability	39.05 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

8301461

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10125942

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zavatti M, Montanari C, Zanoli P: Role of ferutinin in the impairment of female sexual function induced by Ferula hermonis. Physiol Behav. 2006 Dec 30;89(5):656-61. doi: 10.1016/j.physbeh.2006.08.002. Epub 2006 Sep 12. [PubMed:16970966 ]
Zanoli P, Rivasi M, Zavatti M, Brusiani F, Vezzalini F, Baraldi M: Activity of single components of Ferula hermonis on male rat sexual behavior. Int J Impot Res. 2005 Nov-Dec;17(6):513-8. doi: 10.1038/sj.ijir.3901346. [PubMed:15920458 ]

Showing NP-Card for Teferidin (NP0064416)

MOL for NP0064416 (Teferidin)

3D MOL for NP0064416 (Teferidin)

3D SDF for NP0064416 (Teferidin)

3D-SDF for NP0064416 (Teferidin)

PDB for NP0064416 (Teferidin)

3D PDB for NP0064416 (Teferidin)

SMILES for NP0064416 (Teferidin)

INCHI for NP0064416 (Teferidin)

Structure for NP0064416 (Teferidin)

3D Structure for NP0064416 (Teferidin)