NP-MRD: Showing NP-Card for 6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one (NP0259082)

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Record Information

Version

2.0

Created at

2022-09-08 00:49:45 UTC

Updated at

2022-09-08 00:49:45 UTC

NP-MRD ID

NP0259082

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

Description

6,9-Dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]Hexadeca-5,10,12,14-tetraen-3-one 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. 6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one is found in Penicillium simplicissimum. 6,9-Dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]Hexadeca-5,10,12,14-tetraen-3-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161507582D          

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M  END

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M  END


  Mrv1533004161507582D          

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    2.7112    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    2.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2084    2.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6166    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3311    1.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9687    5.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    5.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838   11.0721    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  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
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
 10 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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 16  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 23 31  1  0  0  0  0
 26 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  2  0  0  0  0
 21 37  1  0  0  0  0
 13 37  1  0  0  0  0
 37 38  2  0  0  0  0
  2 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0259082

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC1=CC=CC2=C1NC1N3C(CC21O)C(=O)NC(CC1=C(NC2=CC=CC=C12)C(C)(C)C=C)C3=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H36N4O3/c1-6-31(4,5)27-21(20-11-7-8-13-23(20)33-27)16-24-29(38)36-25(28(37)34-24)17-32(39)22-12-9-10-19(15-14-18(2)3)26(22)35-30(32)36/h6-14,24-25,30,33,35,39H,1,15-17H2,2-5H3,(H,34,37)

> <INCHI_KEY>
IILJSEXGGMGEMF-UHFFFAOYSA-N

> <FORMULA>
C32H36N4O3

> <MOLECULAR_WEIGHT>
524.665

> <EXACT_MASS>
524.278741035

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
57.11595493235593

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-hydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10(15),11,13-triene-3,6-dione

> <ALOGPS_LOGP>
4.55

> <JCHEM_LOGP>
4.416596488333334

> <ALOGPS_LOGS>
-4.76

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.897423702885629

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.31036399457605

> <JCHEM_PKA_STRONGEST_BASIC>
0.1655849558808029

> <JCHEM_POLAR_SURFACE_AREA>
97.45999999999998

> <JCHEM_REFRACTIVITY>
154.20320000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.22e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-hydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10(15),11,13-triene-3,6-dione

> <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      -0.711  18.059   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.319  19.203   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.826  18.883   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.302  17.419   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.808  17.098   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.839  18.243   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.345  17.923   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.821  16.458   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.790  15.314   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.284  15.634   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       3.514  14.300   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       4.544  13.156   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       4.705  11.624   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       6.212  11.304   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.982  12.638   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.951  13.782   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.358  14.408   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.688   9.839   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.194   9.519   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0       5.657   8.695   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       4.151   9.015   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.120   7.871   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.596   6.406   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.691   5.160   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       3.596   3.914   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       5.061   4.390   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.395   3.620   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.728   4.390   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.728   5.930   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.395   6.700   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.061   5.930   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.151   5.160   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.389   5.160   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.151   6.700   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.151   3.620   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.485   2.850   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       3.675  10.480   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       2.169  10.800   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -0.156  20.668   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   39                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   16                                                  
CONECT   10    9    5   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   16                                                  
CONECT   13   12   14   37                                                  
CONECT   14   13   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15    9   12   17                                             
CONECT   17   16                                                            
CONECT   18   14   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   37                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   31                                                  
CONECT   24   23   25   32                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   23   26                                                  
CONECT   32   24   33   34   35                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   32   36                                                       
CONECT   36   35                                                            
CONECT   37   21   13   38                                                  
CONECT   38   37                                                            
CONECT   39    2                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₃₆N₄O₃

Average Mass

524.6650 Da

Monoisotopic Mass

524.27874 Da

IUPAC Name

9-hydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10(15),11,13-triene-3,6-dione

Traditional Name

9-hydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-10(15),11,13-triene-3,6-dione

CAS Registry Number

Not Available

SMILES

CC(C)=CCC1=CC=CC2=C1NC1N3C(CC21O)C(=O)NC(CC1=C(NC2=CC=CC=C12)C(C)(C)C=C)C3=O

InChI Identifier

InChI=1S/C32H36N4O3/c1-6-31(4,5)27-21(20-11-7-8-13-23(20)33-27)16-24-29(38)36-25(28(37)34-24)17-32(39)22-12-9-10-19(15-14-18(2)3)26(22)35-30(32)36/h6-14,24-25,30,33,35,39H,1,15-17H2,2-5H3,(H,34,37)

InChI Key

IILJSEXGGMGEMF-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
Penicillium simplicissimum	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
Alpha-amino acid or derivatives
3-alkylindole
Indole
Dihydroindole
Benzenoid
Substituted pyrrole
Heteroaromatic compound
Cyclic carboximidic acid
Pyrrole
Tertiary carboxylic acid amide
Tertiary alcohol
Pyrrolidine
Carboxamide group
Lactam
Azacycle
Organic 1,3-dipolar compound
Carboxylic acid derivative
Propargyl-type 1,3-dipolar organic compound
Organic nitrogen compound
Alcohol
Amine
Hydrocarbon derivative
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organic oxide
Organic oxygen 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	4.55	ALOGPS
logP	4.42	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	11.31	ChemAxon
pKa (Strongest Basic)	0.17	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	97.46 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	154.2 m³·mol⁻¹	ChemAxon
Polarizability	57.12 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

72968150

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one (NP0259082)

MOL for NP0259082 (6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

3D MOL for NP0259082 (6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

3D SDF for NP0259082 (6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

3D-SDF for NP0259082 (6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

PDB for NP0259082 (6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

3D PDB for NP0259082 (6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

SMILES for NP0259082 (6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

INCHI for NP0259082 (6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

Structure for NP0259082 (6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)

3D Structure for NP0259082 (6,9-dihydroxy-14-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one)