NP-MRD: Showing NP-Card for Holaromine (NP0067705)

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Record Information

Version

2.0

Created at

2022-04-28 12:32:42 UTC

Updated at

2022-04-28 12:32:42 UTC

NP-MRD ID

NP0067705

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Holaromine

Description

Holaromine belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. Holaromine is found in Holarrhena floribunda . Based on a literature review very few articles have been published on Holaromine.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 54 58  0  0  0  0  0  0  0  0999 V2000
    5.7818    0.4545   -0.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7436    0.2319    0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9810    0.4078    1.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0046    0.1972    2.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388   -0.2042    2.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4767   -0.3858    1.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4811   -0.1656    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0887   -0.3916   -1.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161    0.3509   -1.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7719    0.2364   -0.5539 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1853   -0.8053    0.4851 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1244   -1.0313    1.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306   -1.5136    0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5882   -0.4554   -0.1146 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9983    0.8086    0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3974    1.0233    0.3287 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1457    1.2052    1.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9157   -0.1979   -0.2626 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0540    0.1360   -1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7447   -0.7946   -0.9821 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5434    0.0327   -2.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1648    0.6768   -2.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5014   -0.2292   -1.1456 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8065   -0.4834   -1.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7910    0.5372   -0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5429    1.2712   -1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847    0.7239    2.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2509    0.3505    3.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9494   -0.3784    3.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8886   -0.0046   -1.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0094   -1.4854   -1.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4374   -0.0051   -2.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1035    1.4232   -1.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6431    1.1864    0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3270   -1.7607   -0.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0254   -0.0835    2.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4871   -1.7703    2.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8287   -2.4029    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8761   -1.7953    1.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8838    0.6628    1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3700    1.6792    0.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6685    0.5112    2.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1683    0.8339    1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0640    2.2216    1.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2947   -0.9098    0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0406   -0.1411   -0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1075    1.2259   -1.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9354   -0.4572   -2.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8493   -1.8674   -1.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3304    0.7768   -2.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4811   -0.6837   -3.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6574    0.7469   -3.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3212    1.6997   -1.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3288   -1.2083   -1.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  2  2  0
  2  1  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 14 13  1  1
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 14 20  1  0
 14 23  1  0
 11 10  1  0
  6  7  1  0
 19 46  1  0
 19 47  1  0
 19 48  1  0
 18 45  1  1
 20 49  1  6
 21 50  1  0
 21 51  1  0
 22 52  1  0
 22 53  1  0
 23 54  1  6
 10 34  1  1
  9 32  1  0
  9 33  1  0
  8 30  1  0
  8 31  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
  4 28  1  0
  5 29  1  0
 11 35  1  6
 12 36  1  0
 12 37  1  0
 13 38  1  0
 13 39  1  0
 15 40  1  0
 15 41  1  0
 17 42  1  0
 17 43  1  0
 17 44  1  0
M  END


  Mrv1652304282214322D          

 23 27  0  0  1  0            999 V2000
    3.6048   -0.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    0.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7791    1.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602    1.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637    0.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860   -0.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    0.6137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3226    1.3732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8191    2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    1.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037    1.4738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0072    0.8150    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3294    0.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    1.0836    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7584    1.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306    2.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694    0.4248    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7963   -0.2510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073   -0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0650   -1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0943    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2756    1.7302    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
  7  5  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 11 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 20  1  1  0  0  0
 19 21  1  0  0  0  0
 18 22  1  1  0  0  0
  3 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0067705

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CCC5=C(C)C=CC=C5[C@H]4CC[C@]23CN1C

> <INCHI_IDENTIFIER>
InChI=1S/C22H31N/c1-14-5-4-6-17-16(14)7-8-19-18(17)11-12-22-13-23(3)15(2)20(22)9-10-21(19)22/h4-6,15,18-21H,7-13H2,1-3H3/t15-,18+,19+,20+,21-,22-/m0/s1

> <INCHI_KEY>
SRGRERWODXZZAZ-DZJVFWCASA-N

> <FORMULA>
C22H31N

> <MOLECULAR_WEIGHT>
309.497

> <EXACT_MASS>
309.245650002

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
38.44974815029137

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S,5S,6S,9R,12S)-6,7,17-trimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icosa-13,15,17-triene

> <ALOGPS_LOGP>
4.82

> <JCHEM_LOGP>
5.084720787000002

> <ALOGPS_LOGS>
-6.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.288765573229501

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
97.5088

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.92e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,5S,6S,9R,12S)-6,7,17-trimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icosa-13,15,17-triene

> <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       6.729  -0.648   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.656   0.582   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.054   2.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.526   2.188   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.599   0.958   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.200  -0.460   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.070   1.146   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.469   2.563   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.396   3.793   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.924   3.605   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.940   2.751   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.013   1.521   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.615   0.104   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.143  -0.084   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.443   2.023   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.416   3.563   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.057   4.013   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.370   0.793   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -1.486  -0.469   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -0.014  -0.018   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.988  -1.925   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.909   0.820   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.981   3.230   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8   14                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9    4                                                       
CONECT   11    8   12   17                                                  
CONECT   12   11   13   15   20                                             
CONECT   13   12   14                                                       
CONECT   14   13    7                                                       
CONECT   15   12   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16   11                                                       
CONECT   18   15   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19   12                                                       
CONECT   21   19                                                            
CONECT   22   18                                                            
CONECT   23    3                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₃₁N

Average Mass

309.4970 Da

Monoisotopic Mass

309.24565 Da

IUPAC Name

(1R,2S,5S,6S,9R,12S)-6,7,17-trimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icosa-13,15,17-triene

Traditional Name

(1R,2S,5S,6S,9R,12S)-6,7,17-trimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icosa-13,15,17-triene

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@H]2CC[C@H]3[C@@H]4CCC5=C(C)C=CC=C5[C@H]4CC[C@]23CN1C

InChI Identifier

InChI=1S/C22H31N/c1-14-5-4-6-17-16(14)7-8-19-18(17)11-12-22-13-23(3)15(2)20(22)9-10-21(19)22/h4-6,15,18-21H,7-13H2,1-3H3/t15-,18+,19+,20+,21-,22-/m0/s1

InChI Key

SRGRERWODXZZAZ-DZJVFWCASA-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
Holarrhena floribunda	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenanthrenes and derivatives

Sub Class

Not Available

Direct Parent

Phenanthrenes and derivatives

Alternative Parents

Substituents

Phenanthrene
Tetralin
Azaspirodecane
Aralkylamine
N-alkylpyrrolidine
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Hydrocarbon derivative
Organonitrogen compound
Amine
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	4.82	ALOGPS
logP	5.08	ChemAxon
logS	-6.7	ALOGPS
pKa (Strongest Basic)	10.29	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	3.24 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	97.51 m³·mol⁻¹	ChemAxon
Polarizability	38.45 Å³	ChemAxon
Number of Rings	5	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

C00025508

Chemspider ID

68024195

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

102093847

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Holaromine (NP0067705)

MOL for NP0067705 (Holaromine)

3D MOL for NP0067705 (Holaromine)

3D SDF for NP0067705 (Holaromine)

3D-SDF for NP0067705 (Holaromine)

PDB for NP0067705 (Holaromine)

3D PDB for NP0067705 (Holaromine)

SMILES for NP0067705 (Holaromine)

INCHI for NP0067705 (Holaromine)

Structure for NP0067705 (Holaromine)

3D Structure for NP0067705 (Holaromine)