NP-MRD: Showing NP-Card for 3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione (NP0168864)

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Record Information

Version

2.0

Created at

2022-09-03 04:43:55 UTC

Updated at

2022-09-03 04:43:55 UTC

NP-MRD ID

NP0168864

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione

Description

3',4',9'-Trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1,2-dihydro-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]Dodecane]-2,2',8'-trione belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. 3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione is found in Aspergillus fumigatus. 3',4',9'-Trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1,2-dihydro-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]Dodecane]-2,2',8'-trione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004261503032D          

 37 41  0  0  0  0            999 V2000
    8.0522    1.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3651    2.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6261    1.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9390    2.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000    1.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1480    1.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8351    0.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5741    1.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6130   -0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1253   -0.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8215   -1.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3338   -2.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0299   -2.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -2.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1465   -0.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9671    0.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6797    1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3263    2.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0134    1.7674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0345    2.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
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  3  8  1  0  0  0  0
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  6 17  1  0  0  0  0
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 17 23  1  0  0  0  0
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 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 20 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004261503032D          

 37 41  0  0  0  0            999 V2000
    8.0522    1.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  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
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 20 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0168864

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C(=C1)N(CC=C(C)C)C(=O)C21C(O)C2(O)N(C1C=C(C)C)C(=O)C1(O)CCCN1C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H33N3O7/c1-15(2)9-12-28-19-14-17(37-5)7-8-18(19)26(23(28)33)20(13-16(3)4)30-22(32)25(35)10-6-11-29(25)24(34)27(30,36)21(26)31/h7-9,13-14,20-21,31,35-36H,6,10-12H2,1-5H3

> <INCHI_KEY>
SRMXTHVXRZJIAQ-UHFFFAOYSA-N

> <FORMULA>
C27H33N3O7

> <MOLECULAR_WEIGHT>
511.575

> <EXACT_MASS>
511.231850415

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
53.51260331139595

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1,2-dihydro-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione

> <ALOGPS_LOGP>
1.30

> <JCHEM_LOGP>
1.2677862816666678

> <ALOGPS_LOGS>
-2.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.214059481740698

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.174825220104116

> <JCHEM_PKA_STRONGEST_BASIC>
-3.842146256333426

> <JCHEM_POLAR_SURFACE_AREA>
130.85

> <JCHEM_REFRACTIVITY>
134.76260000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.31e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0      15.031   3.359   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      13.748   4.212   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      12.369   3.527   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.086   4.380   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.707   3.695   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.610   2.158   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.892   1.306   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.272   1.990   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      10.478  -0.177   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      11.434  -1.384   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.867  -2.816   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.823  -4.023   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.256  -5.455   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.347  -3.799   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.939  -0.241   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.087  -1.524   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.402   1.202   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.866   2.646   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.718   3.928   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.327   2.581   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.895   4.013   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0       5.913   1.098   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       7.195   0.246   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.260  -1.293   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.959  -2.118   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.595  -1.404   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.023  -3.657   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.421   0.716   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       4.007  -0.768   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       3.344   1.816   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       2.777   0.384   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.805   1.752   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.269   3.195   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.476   4.152   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       3.758   3.299   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0       5.250   3.682   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       5.664   5.165   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   17                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7    3                                                       
CONECT    9    7   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    9   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15    6   18   23                                             
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22   36                                             
CONECT   21   20                                                            
CONECT   22   20   23   28                                                  
CONECT   23   22   17   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   22   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32   35                                             
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   30   36                                                  
CONECT   36   35   20   37                                                  
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₃N₃O₇

Average Mass

511.5750 Da

Monoisotopic Mass

511.23185 Da

IUPAC Name

3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1,2-dihydro-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione

Traditional Name

3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C(=C1)N(CC=C(C)C)C(=O)C21C(O)C2(O)N(C1C=C(C)C)C(=O)C1(O)CCCN1C2=O

InChI Identifier

InChI=1S/C27H33N3O7/c1-15(2)9-12-28-19-14-17(37-5)7-8-18(19)26(23(28)33)20(13-16(3)4)30-22(32)25(35)10-6-11-29(25)24(34)27(30,36)21(26)31/h7-9,13-14,20-21,31,35-36H,6,10-12H2,1-5H3

InChI Key

SRMXTHVXRZJIAQ-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
Aspergillus fumigatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Substituents

Alpha-amino acid or derivatives
Indole or derivatives
Anisole
Dioxopiperazine
Phenol ether
2,5-dioxopiperazine
Alkyl aryl ether
N-alkylpiperazine
1,4-diazinane
Piperazine
Benzenoid
Pyrrolidine
Tertiary carboxylic acid amide
Secondary alcohol
Lactam
Carboxamide group
Polyol
Alkanolamine
Organoheterocyclic compound
Azacycle
Ether
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Organonitrogen 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	1.3	ALOGPS
logP	1.27	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	10.17	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	130.85 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	134.76 m³·mol⁻¹	ChemAxon
Polarizability	53.51 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione (NP0168864)

MOL for NP0168864 (3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione)

3D MOL for NP0168864 (3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione)

3D SDF for NP0168864 (3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione)

3D-SDF for NP0168864 (3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione)

PDB for NP0168864 (3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione)

3D PDB for NP0168864 (3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione)

SMILES for NP0168864 (3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione)

INCHI for NP0168864 (3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione)

Structure for NP0168864 (3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione)

3D Structure for NP0168864 (3',4',9'-trihydroxy-6-methoxy-1-(3-methylbut-2-en-1-yl)-6'-(2-methylprop-1-en-1-yl)-1',7'-diazaspiro[indole-3,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2,2',8'-trione)