NP-MRD: Showing NP-Card for 1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione (NP0306912)

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Record Information

Version

2.0

Created at

2022-09-10 23:41:20 UTC

Updated at

2022-09-10 23:41:20 UTC

NP-MRD ID

NP0306912

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione

Description

1-Hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]Icosa-3(11),4(9),5,7-tetraene-14,20-dione belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety. 1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione is found in Aspergillus fumigatus. 1-Hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]Icosa-3(11),4(9),5,7-tetraene-14,20-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004171505072D          

 31 35  0  0  0  0            999 V2000
    2.3536    3.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9991    2.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768    1.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5223    1.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4001    0.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1383    0.2391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    0.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5409    0.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9844    1.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8086    1.4504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2522    2.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6038    2.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7796    2.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3360    1.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101   -0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1556   -1.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334   -1.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9233   -0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869    0.8192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970   -0.2988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5737    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2400    0.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    1.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0422    2.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960    1.8468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4637    2.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5859    2.9648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1091    1.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2314    2.4510    0.0000 O   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  2  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  4 14  1  0  0  0  0
  7 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 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
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
  3 30  1  0  0  0  0
 20 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END


  Mrv1533004171505072D          

 31 35  0  0  0  0            999 V2000
    2.3536    3.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9991    2.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768    1.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5223    1.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4001    0.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1383    0.2391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167    0.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5409    0.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9844    1.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8086    1.4504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2522    2.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6038    2.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7796    2.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3360    1.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101   -0.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1556   -1.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334   -1.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9233   -0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869    0.8192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970   -0.2988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5737    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2400    0.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207    1.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0422    2.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960    1.8468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4637    2.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5859    2.9648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1091    1.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2314    2.4510    0.0000 O   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  2  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  4 14  1  0  0  0  0
  7 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 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
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
  3 30  1  0  0  0  0
 20 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0306912

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1C2=C(NC3=CC(OC)=CC=C23)C(C=C(C)C)N2C(=O)C3CCCN3C(=O)C12O

> <INCHI_IDENTIFIER>
InChI=1S/C23H27N3O5/c1-12(2)10-17-19-18(14-8-7-13(30-3)11-15(14)24-19)20(31-4)23(29)22(28)25-9-5-6-16(25)21(27)26(17)23/h7-8,10-11,16-17,20,24,29H,5-6,9H2,1-4H3

> <INCHI_KEY>
DARSEBUZHJPBHI-UHFFFAOYSA-N

> <FORMULA>
C23H27N3O5

> <MOLECULAR_WEIGHT>
425.485

> <EXACT_MASS>
425.195070981

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
45.636301573864024

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione

> <ALOGPS_LOGP>
1.67

> <JCHEM_LOGP>
1.7995978610000005

> <ALOGPS_LOGS>
-2.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.71454265250292

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.124301448145081

> <JCHEM_PKA_STRONGEST_BASIC>
-4.063263077454182

> <JCHEM_POLAR_SURFACE_AREA>
95.10000000000001

> <JCHEM_REFRACTIVITY>
114.07089999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.17e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       4.393   6.098   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.598   5.139   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.370   3.616   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.575   2.657   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.347   1.134   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       7.725   0.446   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       8.805   1.544   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.343   1.477   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.171   2.775   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      12.709   2.707   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      13.537   4.006   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.460   4.141   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.922   4.209   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.094   2.911   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.914   0.570   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.686  -0.953   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.890  -1.912   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.662  -3.435   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.324  -1.348   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       3.709   1.529   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       2.276   0.965   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.048  -0.558   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.071   1.924   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.448   1.671   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.159   3.037   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.079   4.135   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0       1.299   3.447   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       2.732   4.011   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.960   5.534   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       3.937   3.052   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.165   4.575   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   30                                                  
CONECT    4    3    5   14                                                  
CONECT    5    4    6   15                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   14                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    4    7                                                  
CONECT   15    5   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   15   21   30                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   27                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   23   28                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28    3   20   31                                             
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   70    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₂₇N₃O₅

Average Mass

425.4850 Da

Monoisotopic Mass

425.19507 Da

IUPAC Name

1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione

Traditional Name

1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione

CAS Registry Number

Not Available

SMILES

COC1C2=C(NC3=CC(OC)=CC=C23)C(C=C(C)C)N2C(=O)C3CCCN3C(=O)C12O

InChI Identifier

InChI=1S/C23H27N3O5/c1-12(2)10-17-19-18(14-8-7-13(30-3)11-15(14)24-19)20(31-4)23(29)22(28)25-9-5-6-16(25)21(27)26(17)23/h7-8,10-11,16-17,20,24,29H,5-6,9H2,1-4H3

InChI Key

DARSEBUZHJPBHI-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

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 beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyridoindoles

Direct Parent

Beta carbolines

Alternative Parents

Substituents

Beta-carboline
Alpha-amino acid or derivatives
3-alkylindole
Indole
Anisole
Dioxopiperazine
Phenol ether
2,5-dioxopiperazine
Alkyl aryl ether
N-alkylpiperazine
Piperazine
1,4-diazinane
Benzenoid
Tertiary carboxylic acid amide
Pyrrolidine
Pyrrole
Heteroaromatic compound
Carboxamide group
Lactam
Alkanolamine
Azacycle
Carboxylic acid derivative
Dialkyl ether
Ether
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Organooxygen compound
Organonitrogen 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	1.67	ALOGPS
logP	1.8	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	10.12	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	95.1 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	114.07 m³·mol⁻¹	ChemAxon
Polarizability	45.64 Å³	ChemAxon
Number of Rings	5	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

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

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METLIN ID

Not Available

PubChem Compound

77139866

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione (NP0306912)

MOL for NP0306912 (1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

3D MOL for NP0306912 (1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

3D SDF for NP0306912 (1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

3D-SDF for NP0306912 (1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

PDB for NP0306912 (1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

3D PDB for NP0306912 (1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

SMILES for NP0306912 (1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

INCHI for NP0306912 (1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

Structure for NP0306912 (1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)

3D Structure for NP0306912 (1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione)