NP-MRD: Showing NP-Card for (3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol (NP0231346)

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Record Information

Version

2.0

Created at

2022-09-06 12:10:02 UTC

Updated at

2022-09-06 12:10:03 UTC

NP-MRD ID

NP0231346

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol

Description

(3AR,8aS)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-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. (3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol is found in Flustra foliacea. Based on a literature review very few articles have been published on (3aR,8aS)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-3a-ol.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 43  0  0  0  0  0  0  0  0999 V2000
   -2.9576   -2.1995    0.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2369   -1.0676    0.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058   -0.8809   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0683   -0.9420   -1.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3507   -2.0702   -0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5448    0.4040    0.0332 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1920    0.2573    1.2689 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5076   -0.1406    0.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4728   -0.6819    1.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966   -1.0153    1.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0025   -1.7532    2.4067 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9224   -0.7974   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9658   -0.2624   -0.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246    0.0796   -0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4948    0.6554   -0.9792 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1813    0.1322   -2.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5854    2.1672   -1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9202    2.4835   -0.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4070    1.5546    0.0423 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2116    2.2679    1.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6624   -2.4176    1.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8835   -2.9492    0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3819   -0.3906    1.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9924   -1.5308   -1.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5218   -1.4690   -2.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4349    0.0617   -1.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971   -2.1485    0.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4268   -1.9426   -0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986   -3.0133   -0.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.4179    2.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2703   -0.8449    2.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8979   -1.0690   -0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1328   -0.0866   -1.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3466    0.8618   -2.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    2.5638   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395    2.5387   -1.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1065    3.5336   -0.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3283    2.1815   -1.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5908    3.3161    1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8462    1.8896    2.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1316    2.3067    1.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 15  1  0
 15 16  1  6
 15 14  1  0
 14 13  2  0
 13 12  1  0
 12 10  2  0
 10 11  1  0
 10  9  1  0
  9  8  2  0
  8  7  1  0
  7  6  1  0
  6  3  1  6
  3  4  1  0
  3  5  1  0
  3  2  1  0
  2  1  2  3
  6 19  1  0
  6 15  1  0
  8 14  1  0
 20 39  1  0
 20 40  1  0
 20 41  1  0
 18 37  1  0
 18 38  1  0
 17 35  1  0
 17 36  1  0
 16 34  1  0
 13 33  1  0
 12 32  1  0
  9 31  1  0
  7 30  1  0
  4 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
  5 29  1  0
  2 23  1  0
  1 21  1  0
  1 22  1  0
M  END


  Mrv1652309062214102D          

 20 22  0  0  1  0            999 V2000
    2.7933    1.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2534    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238    0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7444   -0.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3032    0.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7942   -0.5840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4519   -0.0860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1288   -0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9322   -0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4962   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2997   -0.7850    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2568   -1.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4534   -1.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8894   -1.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645   -1.3635    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3349   -2.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4068   -1.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7299   -1.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693   -0.6003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2924   -0.1286    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
  3  5  1  0  0  0  0
  6  3  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0231346

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1CC[C@@]2(O)C3=CC=C(Br)C=C3N[C@@]12C(C)(C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C16H21BrN2O/c1-5-14(2,3)16-15(20,8-9-19(16)4)12-7-6-11(17)10-13(12)18-16/h5-7,10,18,20H,1,8-9H2,2-4H3/t15-,16+/m1/s1

> <INCHI_KEY>
CHFAIFZIDCGGMS-CVEARBPZSA-N

> <FORMULA>
C16H21BrN2O

> <MOLECULAR_WEIGHT>
337.261

> <EXACT_MASS>
336.083726

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
32.735085604754715

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <JCHEM_LOGP>
3.489586704666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.479311687943262

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.39697118940845

> <JCHEM_PKA_STRONGEST_BASIC>
5.509476227491435

> <JCHEM_POLAR_SURFACE_AREA>
35.5

> <JCHEM_REFRACTIVITY>
86.82939999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

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

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       5.214   2.984   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.206   1.820   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.711   0.365   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.256  -0.140   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.166   0.869   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.216  -1.090   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       6.444  -0.161   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       7.707  -1.041   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.207  -0.691   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.260  -1.815   0.000  0.00  0.00           C+0
HETATM   11 Br   UNK     0      11.759  -1.465   0.000  0.00  0.00          Br+0
HETATM   12  C   UNK     0       9.813  -3.289   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.313  -3.639   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.260  -2.515   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.720  -2.545   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       6.225  -4.000   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.493  -3.475   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.229  -2.594   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       3.676  -1.121   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       2.413  -0.240   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3    7   15   19                                             
CONECT    7    6    8                                                       
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    8   15                                                  
CONECT   15   14    6   16   17                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18    6   20                                                  
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₁BrN₂O

Average Mass

337.2610 Da

Monoisotopic Mass

336.08373 Da

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

CN1CC[C@@]2(O)C3=CC=C(Br)C=C3N[C@@]12C(C)(C)C=C

InChI Identifier

InChI=1S/C16H21BrN2O/c1-5-14(2,3)16-15(20,8-9-19(16)4)12-7-6-11(17)10-13(12)18-16/h5-7,10,18,20H,1,8-9H2,2-4H3/t15-,16+/m1/s1

InChI Key

CHFAIFZIDCGGMS-CVEARBPZSA-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
Aryl bromide
Aryl halide
N-alkylpyrrolidine
Benzenoid
Tertiary alcohol
Pyrrolidine
Pyrrole
Azacycle
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organobromide
Organohalogen compound
Organic oxygen compound
Organic nitrogen compound
Amine
Alcohol
Hydrocarbon derivative
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	3.49	ChemAxon
pKa (Strongest Acidic)	12.4	ChemAxon
pKa (Strongest Basic)	5.51	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	86.83 m³·mol⁻¹	ChemAxon
Polarizability	32.74 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

10274671

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

21638402

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 (3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol (NP0231346)

MOL for NP0231346 ((3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol)

3D MOL for NP0231346 ((3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol)

3D SDF for NP0231346 ((3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol)

3D-SDF for NP0231346 ((3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol)

PDB for NP0231346 ((3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol)

3D PDB for NP0231346 ((3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol)

SMILES for NP0231346 ((3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol)

INCHI for NP0231346 ((3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol)

Structure for NP0231346 ((3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol)

3D Structure for NP0231346 ((3ar,8as)-6-bromo-1-methyl-8a-(2-methylbut-3-en-2-yl)-2h,3h,8h-pyrrolo[2,3-b]indol-3a-ol)