NP-MRD: Showing NP-Card for Flabellidine (NP0051043)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-04-27 22:29:27 UTC

Updated at

2022-04-27 22:29:27 UTC

NP-MRD ID

NP0051043

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Flabellidine

Description

Flabellidine belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Flabellidine is found in Dendrolycopodium obscurum, Lycopodium complanatum, Diphasiastrum digitatum, Diphasiastrum thyoides, Lycopodium flabelliforme, Lycopodium obscurum, Lycopodium paniculatum and Lycopodium thyoides. Flabellidine was first documented in 2014 (PMID: 25103992). Based on a literature review very few articles have been published on Flabellidine (PMID: 32009077).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 52  0  0  0  0  0  0  0  0999 V2000
    4.4827    1.8795    0.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9978    1.7710    0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762    2.6122    1.2973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2607    0.7249   -0.0052 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0498   -0.2195   -0.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517   -0.8901   -1.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458   -1.5409   -1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2915   -0.5643   -0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8601    0.5380    0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0725    1.5880    0.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4176    1.4022    0.7021 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9607    0.8629    2.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2372   -0.4122    2.3070 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6700   -1.0312    3.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072   -1.4291    1.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1506   -0.8667   -0.1677 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6488   -1.8334   -1.0872 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3018   -1.3795   -2.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8751   -0.0543   -2.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5495    0.9620   -1.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8729    0.4460   -0.3593 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9554    0.8820    0.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6674    2.5101   -0.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    2.3861    1.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8749    0.3498   -1.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5124   -0.9810   -0.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306   -0.1638   -2.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.7103   -2.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3889   -2.3564   -0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4228   -1.9614   -2.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3074    2.5553    0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3512    1.7209    1.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9269    2.3846    0.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7488    1.5634    2.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0423    0.7585    1.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1475   -0.1617    2.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6999   -1.4317    3.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9181   -1.8040    3.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -0.2404    4.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4895   -2.1728    1.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2534   -2.0132    1.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2060   -2.7476   -1.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4044   -1.3815   -2.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1443   -2.1328   -3.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6777    0.3284   -3.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896   -0.2235   -3.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5006    1.2694   -1.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1533    1.8973   -1.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9493    0.3108   -0.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  8  2  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
  8 16  1  0
 16 15  1  0
 16 17  1  6
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 15 13  1  0
 21 11  1  0
  4  9  1  0
 21 16  1  0
 14 37  1  0
 14 38  1  0
 14 39  1  0
 13 36  1  1
 12 34  1  0
 12 35  1  0
 11 33  1  6
 10 31  1  0
 10 32  1  0
  7 29  1  0
  7 30  1  0
  6 27  1  0
  6 28  1  0
  5 25  1  0
  5 26  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
 15 40  1  0
 15 41  1  0
 17 42  1  0
 18 43  1  0
 18 44  1  0
 19 45  1  0
 19 46  1  0
 20 47  1  0
 20 48  1  0
 21 49  1  6
M  END


  Mrv1652304282200292D          

 21 24  0  0  1  0            999 V2000
    2.5317    0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597    1.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2945    1.5871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9921    1.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595    0.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2293   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0574    2.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6296    2.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045    1.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1801    1.8418    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8058    0.9236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8948    0.1034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6497   -0.2295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3154    0.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2264    1.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4715    1.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1014   -0.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5415    0.4576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5742    1.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2326    0.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 11 20  1  0  0  0  0
 19 21  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0051043

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1C[C@H]2CC3=C(CCCN3C(C)=O)[C@]3(C1)NCCC[C@H]23

> <INCHI_IDENTIFIER>
InChI=1S/C18H28N2O/c1-12-9-14-10-17-16(6-4-8-20(17)13(2)21)18(11-12)15(14)5-3-7-19-18/h12,14-15,19H,3-11H2,1-2H3/t12-,14+,15-,18-/m1/s1

> <INCHI_KEY>
RBQBCMDKPKIDLR-MJXUCMMTSA-N

> <FORMULA>
C18H28N2O

> <MOLECULAR_WEIGHT>
288.435

> <EXACT_MASS>
288.22016353

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
33.65371182822351

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[(1R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadec-2(7)-en-6-yl]ethan-1-one

> <ALOGPS_LOGP>
2.93

> <JCHEM_LOGP>
1.4427822773333334

> <ALOGPS_LOGS>
-3.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.010119009375297

> <JCHEM_POLAR_SURFACE_AREA>
32.34

> <JCHEM_REFRACTIVITY>
85.66409999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.07e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[(1R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadec-2(7)-en-6-yl]ethanone

> <JCHEM_VEBER_RULE>
1

$$$$

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       4.726   0.707   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.778   2.028   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       6.150   2.963   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       7.452   2.140   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.391   0.602   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.028  -0.115   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.211   4.501   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       7.574   5.218   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.909   5.324   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.742   3.377   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.203   3.438   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.371   1.724   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.537   0.193   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       4.946  -0.428   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       6.189   0.481   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.023   2.012   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.614   2.634   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.056  -0.277   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.011   0.854   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.072   2.393   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.434   0.322   0.000  0.00  0.00           C+0
CONECT    1    2    6   13                                                  
CONECT    2    1    3   10                                                  
CONECT    3    2    4    7                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    3    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    2   11                                                       
CONECT   11   10   12   20                                                  
CONECT   12   11   13   17                                                  
CONECT   13   12    1   14   18                                             
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12                                                       
CONECT   18   13   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19   11                                                       
CONECT   21   19                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₈N₂O

Average Mass

288.4350 Da

Monoisotopic Mass

288.22016 Da

IUPAC Name

1-[(1R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadec-2(7)-en-6-yl]ethan-1-one

Traditional Name

1-[(1R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadec-2(7)-en-6-yl]ethanone

CAS Registry Number

Not Available

SMILES

C[C@@H]1C[C@H]2CC3=C(CCCN3C(C)=O)[C@]3(C1)NCCC[C@H]23

InChI Identifier

InChI=1S/C18H28N2O/c1-12-9-14-10-17-16(6-4-8-20(17)13(2)21)18(11-12)15(14)5-3-7-19-18/h12,14-15,19H,3-11H2,1-2H3/t12-,14+,15-,18-/m1/s1

InChI Key

RBQBCMDKPKIDLR-MJXUCMMTSA-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
Dendrolycopodium obscurum	LOTUS Database	35616633
Diphasiastrum complanatum	Plant	KNApSAcK
Diphasiastrum digitatum	LOTUS Database	35616633
Diphasiastrum thyoides	LOTUS Database	35616633
Lycopodium flabelliforme	Plant	KNApSAcK
Lycopodium obscurum	Plant	KNApSAcK
Lycopodium paniculatum	Plant	KNApSAcK
Lycopodium thyoides	Plant	KNApSAcK

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

Sesquiterpenoid
1,7-phenanthroline
Quinolidine
Tetrahydropyridine
Piperidine
Tertiary carboxylic acid amide
Acetamide
Amino acid or derivatives
Carboxamide group
Carboxylic acid derivative
Secondary aliphatic amine
Secondary amine
Azacycle
Organoheterocyclic compound
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Amine
Organic oxide
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

sesquiterpenoid (CHEBI:5068 )

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	2.93	ALOGPS
logP	1.44	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Basic)	10.01	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	32.34 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	85.66 m³·mol⁻¹	ChemAxon
Polarizability	33.65 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	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

C00001938

Chemspider ID

30791170

KEGG Compound ID

C09865

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5462441

PDB ID

Not Available

ChEBI ID

5068

Good Scents ID

Not Available

References

General References

Takayama H: Total Syntheses of Lycopodium and Monoterpenoid Indole Alkaloids Based on Biosynthesis-Inspired Strategies. Chem Pharm Bull (Tokyo). 2020;68(2):103-116. doi: 10.1248/cpb.c19-00872. [PubMed:32009077 ]
Azuma M, Yoshikawa T, Kogure N, Kitajima M, Takayama H: Biogenetically inspired total syntheses of Lycopodium alkaloids, (+)-flabellidine and (-)-lycodine. J Am Chem Soc. 2014 Aug 20;136(33):11618-21. doi: 10.1021/ja507016g. Epub 2014 Aug 11. [PubMed:25103992 ]

Showing NP-Card for Flabellidine (NP0051043)

MOL for NP0051043 (Flabellidine)

3D MOL for NP0051043 (Flabellidine)

3D SDF for NP0051043 (Flabellidine)

3D-SDF for NP0051043 (Flabellidine)

PDB for NP0051043 (Flabellidine)

3D PDB for NP0051043 (Flabellidine)

SMILES for NP0051043 (Flabellidine)

INCHI for NP0051043 (Flabellidine)

Structure for NP0051043 (Flabellidine)

3D Structure for NP0051043 (Flabellidine)