NP-MRD: Showing NP-Card for 4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol (NP0231035)

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Record Information

Version

2.0

Created at

2022-09-06 11:42:18 UTC

Updated at

2022-09-06 11:42:19 UTC

NP-MRD ID

NP0231035

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol

Description

Hovenine A belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol is found in Aspergillus fumigatus. Hovenine A is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 42  0  0  0  0  0  0  0  0999 V2000
   -1.7140   -2.0735   -0.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2186   -1.2551    0.2753 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5431    0.1293   -0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3145    0.8551   -0.4652 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6297    2.0768   -1.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6991    1.0864    0.8067 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3340    2.1786    0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512    1.7486    0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    2.3828   -0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4230    1.4450   -1.0721 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9537    0.2113   -0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3682   -1.0786   -0.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004   -2.1137   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4531   -1.9113    0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267   -0.5959    0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161    0.4076   -0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1390   -0.2516    1.2663 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2572   -1.2079    1.4352 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9701   -2.4422    1.9443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0067   -1.5356   -1.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2027   -3.0039   -0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5591   -2.4114   -1.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1918   -1.7067    0.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1056   -0.0073   -1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1867    0.6252    0.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1263    2.8187   -0.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3337    1.8162   -2.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7076    2.4400   -1.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4752    1.3671    1.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6332    2.4577    1.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1318    3.0777    0.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6987    3.4517   -0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2902    1.6251   -1.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2728   -1.2431   -1.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9268   -3.1381   -0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8325   -2.6679    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2469   -0.0225    2.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9137   -0.7497    2.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5669   -2.7850    2.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 15 16  2  0
 18  2  1  0
 17  6  1  0
 16  8  1  0
 16 11  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  1
  3 24  1  0
  3 25  1  0
  5 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  1
  7 30  1  0
  7 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  0
 13 35  1  0
 14 36  1  0
 17 37  1  1
 18 38  1  1
 19 39  1  0
M  END


  Mrv0541 05061305042D          

 19 22  0  0  0  0            999 V2000
   -0.8440   -3.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2700   -0.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1714    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570   -2.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430   -2.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271   -1.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281   -2.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964    1.1143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560   -1.3920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5859   -2.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  9  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 14 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17  7  1  0  0  0  0
 17 12  1  0  0  0  0
 18  2  1  0  0  0  0
 18  8  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0231035

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CN(C)C2CC3=CNC4=CC=CC(C2C1O)=C34

> <INCHI_IDENTIFIER>
InChI=1S/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3

> <INCHI_KEY>
JUXRVSRUBIFVKE-UHFFFAOYSA-N

> <FORMULA>
C16H20N2O

> <MOLECULAR_WEIGHT>
256.3428

> <EXACT_MASS>
256.157563272

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
28.673356284377952

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol

> <ALOGPS_LOGP>
2.38

> <JCHEM_LOGP>
1.7990977190000013

> <ALOGPS_LOGS>
-2.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
17.353600687696055

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.476082558027883

> <JCHEM_PKA_STRONGEST_BASIC>
8.460818280721714

> <JCHEM_POLAR_SURFACE_AREA>
39.260000000000005

> <JCHEM_REFRACTIVITY>
76.7065

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.47e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -1.575  -6.450   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.237  -1.827   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.760  -1.830   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.430  -2.600   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.760  -0.290   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.570  -0.290   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.320   2.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.906  -4.138   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.574  -4.910   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.240   0.480   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.090  -1.830   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.430   0.480   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.570  -1.830   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.090  -0.290   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.237  -2.602   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.239  -4.142   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       1.860   2.080   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      -2.905  -2.598   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0       1.094  -4.913   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2   18                                                            
CONECT    3    4    5                                                       
CONECT    4    3   11                                                       
CONECT    5    3   12                                                       
CONECT    6   10   13                                                       
CONECT    7   10   17                                                       
CONECT    8    9   18                                                       
CONECT    9    1    8   16                                                  
CONECT   10    6    7   14                                                  
CONECT   11    4   14   15                                                  
CONECT   12    5   14   17                                                  
CONECT   13    6   15   18                                                  
CONECT   14   10   11   12                                                  
CONECT   15   11   13   16                                                  
CONECT   16    9   15   19                                                  
CONECT   17    7   12                                                       
CONECT   18    2    8   13                                                  
CONECT   19   16                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   44    0
END

View in JSmol

Synonyms

Value	Source
N-Demethylfrangulanine	HMDB
Fumigaclavine b	HMDB
6,8-Dimethylergolin-9-ol	MeSH, HMDB
Isofumigaclavine b	MeSH, HMDB

Chemical Formula

C₁₆H₂₀N₂O

Average Mass

256.3428 Da

Monoisotopic Mass

256.15756 Da

IUPAC Name

4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol

Traditional Name

4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol

CAS Registry Number

Not Available

SMILES

CC1CN(C)C2CC3=CNC4=CC=CC(C2C1O)=C34

InChI Identifier

InChI=1S/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3

InChI Key

JUXRVSRUBIFVKE-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 oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Cyclic alpha peptide
Isoleucine or derivatives
Macrolactam
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Alkyl aryl ether
Fatty amide
Fatty acyl
N-acyl-amine
Benzenoid
Amino acid or derivatives
Carboxamide group
Lactam
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Oxacycle
Ether
Secondary aliphatic amine
Secondary amine
Organopnictogen compound
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Amine
Organic oxide
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	2.38	ALOGPS
logP	1.8	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	14.48	ChemAxon
pKa (Strongest Basic)	8.46	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	39.26 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	76.71 m³·mol⁻¹	ChemAxon
Polarizability	28.67 Å³	ChemAxon
Number of Rings	4	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

HMDB0030200

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB002018

KNApSAcK ID

Not Available

Chemspider ID

4476718

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5318090

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol (NP0231035)

MOL for NP0231035 (4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol)

3D MOL for NP0231035 (4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol)

3D SDF for NP0231035 (4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol)

3D-SDF for NP0231035 (4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol)

PDB for NP0231035 (4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol)

3D PDB for NP0231035 (4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol)

SMILES for NP0231035 (4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol)

INCHI for NP0231035 (4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol)

Structure for NP0231035 (4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol)

3D Structure for NP0231035 (4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol)