NP-MRD: Showing NP-Card for 5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol (NP0256377)

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Record Information

Version

1.0

Created at

2022-09-07 21:10:56 UTC

Updated at

2022-09-07 21:10:57 UTC

NP-MRD ID

NP0256377

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol

Description

5,7-Dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-4-ol 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. 5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol is found in Flustra foliacea. 5,7-Dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-4-ol is a strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 43  0  0  0  0  0  0  0  0999 V2000
    3.4409    1.0773    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0857   -0.1159   -0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899   -1.0781   -1.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8495   -0.2812   -1.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8086    0.6894   -0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3201    0.0914   -0.0110 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1388   -0.5042    1.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4645   -1.9186    0.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4496   -2.2889   -0.1211 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4770   -3.1230    0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9658   -1.0808   -0.6783 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3702   -0.9976   -0.3269 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6120    0.3770   -0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8007    1.1024    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4665    0.2016   -0.2091 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7730    2.4544    0.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5619    3.0959    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4905    4.9721    0.8954 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3786    2.4070    0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1799    3.0795    0.6047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282    1.0486    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9238    1.1107    1.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2013    2.0304   -0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5319    1.1335    0.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6827   -2.0234   -1.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7911   -1.2325   -0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7809   -0.6532   -1.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6016   -1.1431   -1.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3466    1.1486   -1.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816    1.4483   -0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7711   -0.5332    1.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9265    0.0487    1.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4763   -2.0961    0.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3217   -2.5534    1.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9267   -3.9435    1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0239   -2.5768    1.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1204   -3.6230   -0.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8666   -1.0207   -1.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0296   -1.7986   -0.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6967    3.0123    0.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1348    4.0567    0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  6
  5  4  1  0
  4  2  2  3
  2  1  1  0
  2  3  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 11  9  1  0
 21 13  1  0
 21  6  1  0
 10 35  1  0
 10 36  1  0
 10 37  1  0
  8 33  1  0
  8 34  1  0
  7 31  1  0
  7 32  1  0
  5 29  1  0
  5 30  1  0
  4 28  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  3 26  1  0
  3 27  1  0
 11 38  1  6
 12 39  1  0
 16 40  1  0
 20 41  1  0
M  END


  Mrv1533004241516172D          

 21 23  0  0  0  0            999 V2000
    3.9359   -0.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379   -0.1470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6774    0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0005    1.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427    0.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724    1.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122    2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4224    1.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9623    2.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6928    1.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131   -0.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9554   -0.6613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785   -0.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356   -1.1665    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1505    1.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136    1.6167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9539    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1933    1.9915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5179    0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  5 21  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0256377

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1CCC2(CC=C(C)C)C1NC1=C(Br)C=C(Br)C(O)=C21

> <INCHI_IDENTIFIER>
InChI=1S/C16H20Br2N2O/c1-9(2)4-5-16-6-7-20(3)15(16)19-13-10(17)8-11(18)14(21)12(13)16/h4,8,15,19,21H,5-7H2,1-3H3

> <INCHI_KEY>
YZJXVTXZQKEAOV-UHFFFAOYSA-N

> <FORMULA>
C16H20Br2N2O

> <MOLECULAR_WEIGHT>
416.157

> <EXACT_MASS>
413.994239

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
36.1139780508862

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-4-ol

> <ALOGPS_LOGP>
4.48

> <JCHEM_LOGP>
4.548961374666666

> <ALOGPS_LOGS>
-4.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.310935517775597

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.393641619795211

> <JCHEM_PKA_STRONGEST_BASIC>
4.159110079890262

> <JCHEM_POLAR_SURFACE_AREA>
35.5

> <JCHEM_REFRACTIVITY>
95.8843

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.05e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-4-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       7.347  -1.502   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       6.417  -0.274   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       6.864   1.199   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.601   2.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.373   1.150   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.868   2.605   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.876   3.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.389   3.479   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.396   4.644   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.893   2.024   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.878  -0.305   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       3.650  -1.234   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       2.387  -0.354   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.887  -0.704   0.000  0.00  0.00           C+0
HETATM   15 Br   UNK     0       0.440  -2.177   0.000  0.00  0.00          Br+0
HETATM   16  C   UNK     0      -0.166   0.420   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.281   1.894   0.000  0.00  0.00           C+0
HETATM   18 Br   UNK     0      -0.772   3.018   0.000  0.00  0.00          Br+0
HETATM   19  C   UNK     0       1.781   2.244   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.228   3.717   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.833   1.120   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   11                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   11   21                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    5    2   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19    5   13                                                  
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₀Br₂N₂O

Average Mass

416.1570 Da

Monoisotopic Mass

413.99424 Da

IUPAC Name

5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-4-ol

Traditional Name

5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-4-ol

CAS Registry Number

Not Available

SMILES

CN1CCC2(CC=C(C)C)C1NC1=C(Br)C=C(Br)C(O)=C21

InChI Identifier

InChI=1S/C16H20Br2N2O/c1-9(2)4-5-16-6-7-20(3)15(16)19-13-10(17)8-11(18)14(21)12(13)16/h4,8,15,19,21H,5-7H2,1-3H3

InChI Key

YZJXVTXZQKEAOV-UHFFFAOYSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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	LOTUS Database	35616633

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
Dihydroindole
4-halophenol
2-halophenol
2-bromophenol
4-bromophenol
Phenol
Aryl bromide
Aryl halide
Benzenoid
N-alkylpyrrolidine
Pyrrolidine
Pyrrole
Azacycle
Organonitrogen compound
Organobromide
Organohalogen compound
Amine
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Organooxygen 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	4.48	ALOGPS
logP	4.55	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	8.39	ChemAxon
pKa (Strongest Basic)	4.16	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	35.5 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	95.88 m³·mol⁻¹	ChemAxon
Polarizability	36.11 Å³	ChemAxon
Number of Rings	3	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

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DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

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PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol (NP0256377)

MOL for NP0256377 (5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol)

3D MOL for NP0256377 (5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol)

3D SDF for NP0256377 (5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol)

3D-SDF for NP0256377 (5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol)

PDB for NP0256377 (5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol)

3D PDB for NP0256377 (5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol)

SMILES for NP0256377 (5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol)

INCHI for NP0256377 (5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol)

Structure for NP0256377 (5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol)

3D Structure for NP0256377 (5,7-dibromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indol-4-ol)