NP-MRD: Showing NP-Card for Mahanimbine (NP0050883)

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Record Information

Version

2.0

Created at

2022-04-27 22:20:14 UTC

Updated at

2022-04-27 22:20:14 UTC

NP-MRD ID

NP0050883

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Mahanimbine

Description

Pyrano[3,2-a]carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)-, (3S)- belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. Mahanimbine is found in Clausena excavata, Murraya euchrestifolia, Murraya exotica and Murraya koenigii . Based on a literature review very few articles have been published on Pyrano[3,2-a]carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)-, (3S)-.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 50 53  0  0  0  0  0  0  0  0999 V2000
    5.4611    2.2585    0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9794    1.2110   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314    1.2792   -1.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2898    0.1539    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7971   -0.9048   -0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3682   -1.1174   -0.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4388   -1.4456    0.1773 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8253   -2.7134    0.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1846   -0.2983    1.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0153    0.2963    1.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1364   -0.1951    0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9944   -1.2612   -0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1104   -1.7305   -1.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8890   -2.8953   -1.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3119   -1.1174   -0.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4781   -0.0329   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3817    0.4265    0.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7546    1.4775    1.3782 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0838    1.6985    1.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9811    2.6199    1.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2993    2.6053    1.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7893    1.6725    0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8955    0.7553   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5733    0.7575    0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2178   -1.8594   -0.4883 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3473    1.8799    1.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571    2.4566    1.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7316    3.1736    0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8119    2.2004   -2.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3002    1.2497   -2.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8802    0.4401   -2.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1749    0.1676    1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3583   -1.8921   -0.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195   -0.6785   -1.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9748   -0.1858   -1.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2675   -1.8931   -1.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9351   -3.2650    1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -2.3702    1.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4176   -3.3999    0.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0055    0.1368    1.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1326    1.1446    1.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0128   -3.5051   -1.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7703   -3.5689   -1.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780   -2.6108   -2.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1774   -1.4745   -1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1263    2.0215    2.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6289    3.3592    2.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0204    3.3304    1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8034    1.6336    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2271    0.0093   -0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  7  6  1  6
  7  8  1  0
  7 25  1  0
 25 12  1  0
 12 11  2  0
 11 10  1  0
 10  9  2  0
 11 17  1  0
 17 16  2  0
 16 15  1  0
 15 13  2  0
 13 14  1  0
 16 24  1  0
 24 19  2  0
 19 18  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
  9  7  1  0
 18 17  1  0
 13 12  1  0
 23 24  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  3 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  8 37  1  0
  8 38  1  0
  8 39  1  0
 10 41  1  0
  9 40  1  0
 15 45  1  0
 14 42  1  0
 14 43  1  0
 14 44  1  0
 18 46  1  0
 20 47  1  0
 21 48  1  0
 22 49  1  0
 23 50  1  0
M  END


  Mrv1652304282200202D          

 25 28  0  0  1  0            999 V2000
    5.0768    0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3828    1.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103    0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3043   -0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0376   -0.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8144   -0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3618    0.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8779    1.1504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5381    0.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1671   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6198   -0.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434   -0.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2488   -1.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3435   -0.3244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092    0.3654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2618    1.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0855    1.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8143   -0.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5378    0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2429   -0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9664    0.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6715   -0.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9847    1.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586    0.7104    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  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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 10 18  1  0  0  0  0
 16 19  1  1  0  0  0
 19 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
 16 25  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0050883

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC[C@]1(C)OC2=C(C=C1)C1=C(C=C2C)C2=C(N1)C=CC=C2

> <INCHI_IDENTIFIER>
InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3/t23-/m0/s1

> <INCHI_KEY>
HTNVFUBCWIYPJN-QHCPKHFHSA-N

> <FORMULA>
C23H25NO

> <MOLECULAR_WEIGHT>
331.459

> <EXACT_MASS>
331.193614429

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
39.379119946266776

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5S)-5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,8,11(16),12,14-heptaene

> <ALOGPS_LOGP>
6.36

> <JCHEM_LOGP>
6.242598485666666

> <ALOGPS_LOGS>
-6.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.84919194763043

> <JCHEM_PKA_STRONGEST_BASIC>
-4.920984000405102

> <JCHEM_POLAR_SURFACE_AREA>
25.02

> <JCHEM_REFRACTIVITY>
106.63239999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.77e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5S)-5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,8,11(16),12,14-heptaene

> <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       9.477   1.476   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.181   2.308   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.812   1.603   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.739   0.064   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.035  -0.768   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.404  -0.063   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.254  -0.341   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.409   0.946   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       5.372   2.147   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       2.871   0.858   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.179  -0.517   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.024  -1.805   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.561  -1.717   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.331  -3.180   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.641  -0.606   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -0.204   0.682   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.489   2.057   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.026   2.146   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.520  -0.118   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.871   0.623   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.187  -0.177   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.537   0.563   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.853  -0.236   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.571   2.103   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.603   1.326   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    4    8   13                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8    3                                                       
CONECT   10    8   11   18                                                  
CONECT   11   10   12   15                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12    7                                                       
CONECT   14   12                                                            
CONECT   15   11   16                                                       
CONECT   16   15   17   19   25                                             
CONECT   17   16   18                                                       
CONECT   18   17   10                                                       
CONECT   19   16   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   16                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   56    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₂₅NO

Average Mass

331.4590 Da

Monoisotopic Mass

331.19361 Da

IUPAC Name

(5S)-5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,8,11(16),12,14-heptaene

Traditional Name

(5S)-5,8-dimethyl-5-(4-methylpent-3-en-1-yl)-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,8,11(16),12,14-heptaene

CAS Registry Number

Not Available

SMILES

CC(C)=CCC[C@]1(C)OC2=C(C=C1)C1=C(C=C2C)C2=C(N1)C=CC=C2

InChI Identifier

InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3/t23-/m0/s1

InChI Key

HTNVFUBCWIYPJN-QHCPKHFHSA-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
Clausena excavata	LOTUS Database	35616633
Murraya euchrestifolia	LOTUS Database	35616633
Murraya exotica	Plant	KNApSAcK
Murraya koenigii	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Carbazoles

Direct Parent

Carbazoles

Alternative Parents

Substituents

Carbazole
Benzopyran
1-benzopyran
Indole
Alkyl aryl ether
Benzenoid
Heteroaromatic compound
Pyrrole
Ether
Oxacycle
Azacycle
Organic nitrogen compound
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Organic oxygen 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	6.36	ALOGPS
logP	6.24	ChemAxon
logS	-6.6	ALOGPS
pKa (Strongest Acidic)	14.85	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	25.02 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	106.63 m³·mol⁻¹	ChemAxon
Polarizability	39.38 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

Not Available

Chemspider ID

62906625

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

29010903

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Mahanimbine (NP0050883)

MOL for NP0050883 (Mahanimbine)

3D MOL for NP0050883 (Mahanimbine)

3D SDF for NP0050883 (Mahanimbine)

3D-SDF for NP0050883 (Mahanimbine)

PDB for NP0050883 (Mahanimbine)

3D PDB for NP0050883 (Mahanimbine)

SMILES for NP0050883 (Mahanimbine)

INCHI for NP0050883 (Mahanimbine)

Structure for NP0050883 (Mahanimbine)

3D Structure for NP0050883 (Mahanimbine)