NP-MRD: Showing NP-Card for (-)-Flustramide A (NP0068925)

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Record Information

Version

2.0

Created at

2022-04-28 14:11:48 UTC

Updated at

2022-04-28 14:11:49 UTC

NP-MRD ID

NP0068925

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Flustramide A

Description

Flustramide A belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. (-)-Flustramide A is found in Flustra foliacea. (-)-Flustramide A was first documented in 2008 (PMID: 18576686). Based on a literature review very few articles have been published on Flustramide A.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 52 54  0  0  0  0  0  0  0  0999 V2000
   -3.2112    2.9301   -0.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0148    2.5770   -0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8298    1.4490    0.3943 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0041    1.3714    1.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5943    1.6612    1.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6235    0.1354   -0.3169 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8075   -0.2347   -1.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2034   -1.2991   -2.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784   -2.3238   -2.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8545   -0.8948   -2.2335 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0209   -1.4456   -3.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4881    0.1374   -1.2694 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6653   -0.4197   -0.5264 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9786   -0.0688   -0.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1262   -0.6265   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9752    0.1637    0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532    1.6296    0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1848   -0.4018    1.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830   -1.2339    0.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457   -2.2036    1.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0784   -2.9300    2.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7410   -4.2825    3.2557 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4132   -2.6156    2.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0141   -1.6327    1.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2664   -0.9500    0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1091    2.4115   -0.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3187    3.7687   -1.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1197    3.1221   -0.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3247    2.4327    1.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8409    0.7814    0.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6807    0.9943    2.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3298    1.7151    0.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7373    2.5219    1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    0.7613    1.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9914    0.6382   -1.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6782   -0.5688   -0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7641   -2.1612   -2.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4990   -0.6024   -3.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5646   -2.0082   -4.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2648    1.0913   -1.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0139    1.0690   -0.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0758   -0.3325   -2.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3423   -1.6768   -0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7184    1.8731    0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8848    2.0953   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5015    2.0739    1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0317   -1.4328    1.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3557    0.2070    2.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0883   -0.3180    0.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6727   -2.4378    1.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417   -3.1285    3.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0703   -1.3815    1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
 13 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 25  2  0
 25  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  2  0
  6  3  1  0
  3  4  1  1
  3  5  1  0
  3  2  1  0
  2  1  2  3
  8 10  1  0
  6 12  1  0
 25 19  1  0
 11 37  1  0
 11 38  1  0
 11 39  1  0
 12 40  1  6
 14 41  1  0
 14 42  1  0
 15 43  1  0
 17 44  1  0
 17 45  1  0
 17 46  1  0
 18 47  1  0
 18 48  1  0
 18 49  1  0
 20 50  1  0
 23 51  1  0
 24 52  1  0
  7 35  1  0
  7 36  1  0
  4 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  5 34  1  0
  2 28  1  0
  1 26  1  0
  1 27  1  0
M  END


  Mrv1652304282216112D          

 25 27  0  0  1  0            999 V2000
    4.3402    2.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1008    2.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973    1.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7333    2.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9727    3.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7762    3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2959    3.7260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6381    3.2280    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9085    2.4486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2507    1.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5739    2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2056    2.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133    3.2118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3153    3.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788    1.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9093    0.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9583    1.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3994    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796    4.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9858    4.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9695    5.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2471    6.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    6.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1436    3.0270    0.0000 Br  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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0068925

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1[C@@H]2N(CC=C(C)C)C3=CC(Br)=CC=C3[C@@]2(CC1=O)C(C)(C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C21H27BrN2O/c1-7-20(4,5)21-13-18(25)23(6)19(21)24(11-10-14(2)3)17-12-15(22)8-9-16(17)21/h7-10,12,19H,1,11,13H2,2-6H3/t19-,21-/m1/s1

> <INCHI_KEY>
KZILSQFDRARYBL-TZIWHRDSSA-N

> <FORMULA>
C21H27BrN2O

> <MOLECULAR_WEIGHT>
403.364

> <EXACT_MASS>
402.130676

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
41.363086924911066

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3aR,8aS)-6-bromo-1-methyl-8-(3-methylbut-2-en-1-yl)-3a-(2-methylbut-3-en-2-yl)-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-2-one

> <ALOGPS_LOGP>
5.11

> <JCHEM_LOGP>
5.085455677000001

> <ALOGPS_LOGS>
-4.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.822229534677727

> <JCHEM_POLAR_SURFACE_AREA>
23.550000000000004

> <JCHEM_REFRACTIVITY>
108.3273

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.58e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3aR,8aS)-6-bromo-1-methyl-8-(3-methylbut-2-en-1-yl)-3a-(2-methylbut-3-en-2-yl)-3H,8aH-pyrrolo[2,3-b]indol-2-one

> <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       8.102   5.301   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.655   3.827   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.155   3.477   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.102   4.601   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.549   6.075   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.049   6.425   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       4.286   6.955   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       3.058   6.026   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.562   4.571   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.335   3.641   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.071   4.522   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.384   4.017   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0       1.518   5.995   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       0.589   7.223   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.067   3.116   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.572   1.661   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.564   0.496   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.522   3.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.612   2.611   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.255   8.495   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.574   9.291   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.543  10.831   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.195  11.574   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.861  11.627   0.000  0.00  0.00           C+0
HETATM   25 Br   UNK     0       9.601   5.650   0.000  0.00  0.00          Br+0
CONECT    1    2    6   25                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8   20                                                  
CONECT    8    7    9   13                                                  
CONECT    9    8    4   10   15                                             
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    8   14                                                  
CONECT   14   13                                                            
CONECT   15    9   16   18   19                                             
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15                                                            
CONECT   19   15                                                            
CONECT   20    7   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25    1                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₂₇BrN₂O

Average Mass

403.3640 Da

Monoisotopic Mass

402.13068 Da

IUPAC Name

(3aR,8aS)-6-bromo-1-methyl-8-(3-methylbut-2-en-1-yl)-3a-(2-methylbut-3-en-2-yl)-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-2-one

Traditional Name

(3aR,8aS)-6-bromo-1-methyl-8-(3-methylbut-2-en-1-yl)-3a-(2-methylbut-3-en-2-yl)-3H,8aH-pyrrolo[2,3-b]indol-2-one

CAS Registry Number

Not Available

SMILES

CN1[C@@H]2N(CC=C(C)C)C3=CC(Br)=CC=C3[C@@]2(CC1=O)C(C)(C)C=C

InChI Identifier

InChI=1S/C21H27BrN2O/c1-7-20(4,5)21-13-18(25)23(6)19(21)24(11-10-14(2)3)17-12-15(22)8-9-16(17)21/h7-10,12,19H,1,11,13H2,2-6H3/t19-,21-/m1/s1

InChI Key

KZILSQFDRARYBL-TZIWHRDSSA-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
Flustra foliacea	-	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyrroloindoles

Direct Parent

Pyrroloindoles

Alternative Parents

Substituents

Pyrroloindole
Indole
Dialkylarylamine
Aryl bromide
Aryl halide
Pyrrolidone
2-pyrrolidone
Benzenoid
N-alkylpyrrolidine
Pyrrole
Pyrrolidine
Tertiary carboxylic acid amide
Lactam
Carboxamide group
Carboxylic acid derivative
Azacycle
Amine
Organooxygen compound
Organonitrogen compound
Organobromide
Organohalogen compound
Organic oxide
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	5.11	ALOGPS
logP	5.09	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Basic)	-0.82	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	23.55 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	108.33 m³·mol⁻¹	ChemAxon
Polarizability	41.36 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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

C00027024

Chemspider ID

9698995

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11524209

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kawasaki T, Shinada M, Ohzono M, Ogawa A, Terashima R, Sakamoto M: Total synthesis of (+/-)-flustramines A and C, (+/-)-flustramide A, and (-)- and (+)-debromoflustramines A. J Org Chem. 2008 Aug 1;73(15):5959-64. doi: 10.1021/jo800984a. Epub 2008 Jun 25. [PubMed:18576686 ]

Showing NP-Card for (-)-Flustramide A (NP0068925)

MOL for NP0068925 ((-)-Flustramide A)

3D MOL for NP0068925 ((-)-Flustramide A)

3D SDF for NP0068925 ((-)-Flustramide A)

3D-SDF for NP0068925 ((-)-Flustramide A)

PDB for NP0068925 ((-)-Flustramide A)

3D PDB for NP0068925 ((-)-Flustramide A)

SMILES for NP0068925 ((-)-Flustramide A)

INCHI for NP0068925 ((-)-Flustramide A)

Structure for NP0068925 ((-)-Flustramide A)

3D Structure for NP0068925 ((-)-Flustramide A)