NP-MRD: Showing NP-Card for 1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one (NP0280690)

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Record Information

Version

2.0

Created at

2022-09-09 06:37:21 UTC

Updated at

2022-09-09 06:37:21 UTC

NP-MRD ID

NP0280690

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one

Description

1-[3-(2,3-Dihydroxy-3-methylbutyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. 1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one is found in Hexalobus crispiflorus and Isolona maitlandii. 1-[3-(2,3-Dihydroxy-3-methylbutyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
    5.5911    0.8453   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2402    1.3373   -0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0968    2.7479   -0.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1675    0.5952   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1751   -0.7792    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778   -1.2786    0.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9754   -1.6191    0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0783   -2.9263    0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9795   -3.7529    0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2732   -3.2987    0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4762   -3.8806    0.3126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3791   -2.9928   -0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505   -1.7942   -0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3729   -0.5400   -0.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5942    0.3696    0.2666 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4461    0.7012    0.9262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3036    1.6494   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4066    2.5945   -0.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6080    1.4424   -0.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716    2.3134    1.1107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -1.9873   -0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161   -1.1836   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3321    1.6768   -0.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5886    0.5459    1.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9115   -0.0299   -0.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1059    3.0921   -1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3948    2.8014   -1.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150    3.3368   -0.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2039    1.0158   -0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0399   -3.3150    0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0383   -4.7874    1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6782   -4.8621    0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4410   -3.1357   -0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7216   -0.0084   -1.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3014   -0.7789   -1.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2653   -0.1372    1.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3484    1.6572    1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    3.3309   -1.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    3.2017   -0.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7847    2.0281   -1.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0527    0.4442   -0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4791    1.5893   -1.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3943    2.1775   -0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2875    1.7784    1.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000   -0.1845   -0.5536 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  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 13 21  1  0
 21 22  2  0
 22  7  1  0
 21 10  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  8 30  1  0
  9 31  1  0
 11 32  1  0
 12 33  1  0
 14 34  1  0
 14 35  1  0
 15 36  1  1
 16 37  1  0
 18 38  1  0
 18 39  1  0
 18 40  1  0
 19 41  1  0
 19 42  1  0
 19 43  1  0
 20 44  1  0
 22 45  1  0
M  END


  Mrv1533004161509462D          

 22 23  0  0  0  0            999 V2000
    5.4957    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358    3.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2428    3.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    4.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259    5.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    4.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3963    4.1178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  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
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 12 20  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0280690

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CC(=O)C1=CC=C2NC=C(CC(O)C(C)(C)O)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H23NO3/c1-11(2)7-16(20)12-5-6-15-14(8-12)13(10-19-15)9-17(21)18(3,4)22/h5-8,10,17,19,21-22H,9H2,1-4H3

> <INCHI_KEY>
DJXMVWXPGNIAEZ-UHFFFAOYSA-N

> <FORMULA>
C18H23NO3

> <MOLECULAR_WEIGHT>
301.386

> <EXACT_MASS>
301.167793605

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
33.46266918619264

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[3-(2,3-dihydroxy-3-methylbutyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one

> <ALOGPS_LOGP>
2.55

> <JCHEM_LOGP>
2.604072789666667

> <ALOGPS_LOGS>
-4.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.251814552448778

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.722613680802539

> <JCHEM_PKA_STRONGEST_BASIC>
-3.094037046849797

> <JCHEM_POLAR_SURFACE_AREA>
73.32000000000001

> <JCHEM_REFRACTIVITY>
88.74089999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.05e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[3-(2,3-dihydroxy-3-methylbutyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0      10.259   1.303   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.925   2.073   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.925   3.613   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.591   4.383   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       7.591   5.923   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       2.126   1.597   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.126   4.089   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.650   5.553   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.680   6.698   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.187   6.378   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.204   8.162   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.728   9.627   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.669   8.638   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.740   7.687   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.591   1.303   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   21                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   20                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16                                                            
CONECT   20   12    9   21                                                  
CONECT   21   20    6                                                       
CONECT   22    2                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₃NO₃

Average Mass

301.3860 Da

Monoisotopic Mass

301.16779 Da

IUPAC Name

1-[3-(2,3-dihydroxy-3-methylbutyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one

Traditional Name

1-[3-(2,3-dihydroxy-3-methylbutyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one

CAS Registry Number

Not Available

SMILES

CC(C)=CC(=O)C1=CC=C2NC=C(CC(O)C(C)(C)O)C2=C1

InChI Identifier

InChI=1S/C18H23NO3/c1-11(2)7-16(20)12-5-6-15-14(8-12)13(10-19-15)9-17(21)18(3,4)22/h5-8,10,17,19,21-22H,9H2,1-4H3

InChI Key

DJXMVWXPGNIAEZ-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
Hexalobus crispiflorus	LOTUS Database	35616633
Isolona maitlandii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indoles

Direct Parent

3-alkylindoles

Alternative Parents

Substituents

3-alkylindole
Aryl ketone
Substituted pyrrole
Benzenoid
Acryloyl-group
Enone
Pyrrole
Tertiary alcohol
Heteroaromatic compound
Alpha,beta-unsaturated ketone
1,2-diol
Ketone
Secondary alcohol
Azacycle
Alcohol
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organic oxygen compound
Organic oxide
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	2.55	ALOGPS
logP	2.6	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	13.72	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	73.32 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	88.74 m³·mol⁻¹	ChemAxon
Polarizability	33.46 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

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Phenol Explorer Compound 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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METLIN ID

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PubChem Compound

85101032

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 1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one (NP0280690)

MOL for NP0280690 (1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one)

3D MOL for NP0280690 (1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one)

3D SDF for NP0280690 (1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one)

3D-SDF for NP0280690 (1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one)

PDB for NP0280690 (1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one)

3D PDB for NP0280690 (1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one)

SMILES for NP0280690 (1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one)

INCHI for NP0280690 (1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one)

Structure for NP0280690 (1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one)

3D Structure for NP0280690 (1-[3-(2,3-dihydroxy-3-methylbutyl)-1h-indol-5-yl]-3-methylbut-2-en-1-one)