NP-MRD: Showing NP-Card for 4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol (NP0237811)

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Record Information

Version

2.0

Created at

2022-09-06 21:03:39 UTC

Updated at

2022-09-06 21:03:39 UTC

NP-MRD ID

NP0237811

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol

Description

(-)-Morphine belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic (-)-Morphine is a very strong basic compound (based on its pKa). Outside of the human body, (-)-morphine has been detected, but not quantified in, green vegetables. 4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol is found in Papaver commutatum and Papaver somniferum. This could make (-)-morphine a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 44  0  0  0  0  0  0  0  0999 V2000
    3.6950   -0.2576    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3123   -0.5990    0.1221 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751   -0.5244   -1.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2653   -1.0556   -1.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367   -0.4868    0.0376 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7895    0.9032   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0772    1.8948    0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3714    3.1593   -0.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6518    3.3282   -0.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4642    2.2176   -1.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7162    2.3517   -1.6051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0301    0.9240   -0.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028   -0.3927   -0.8048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8204   -1.0522    0.2722 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7037   -2.4882    0.2623 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8621   -3.0780    0.8176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4962   -2.8862    1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4102   -2.0330    1.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3061   -0.5866    1.3570 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5731    0.1693    1.1138 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3730    1.5810    0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3192   -0.8581    0.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8155    0.7992    0.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0478   -0.4395   -0.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2914   -1.1275   -1.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6154    0.5430   -1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2389   -0.7193   -2.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272   -2.1584   -1.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2444    4.0155   -0.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9850    4.3233   -1.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1390    3.2173   -1.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2624   -0.6653    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6452   -2.9291   -0.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5854   -2.8758    0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3726   -3.9692    1.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2305   -2.4688    2.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2747   -0.1385    2.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1803    0.1398    2.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4225    2.2424    1.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1671    1.9806    0.0374 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
  5  4  1  6
  5 14  1  0
 14 13  1  0
 13 12  1  0
 12 10  2  0
 10 11  1  0
 10  9  1  0
  9  8  2  0
  8  7  1  0
  7 21  1  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  2  0
 17 15  1  0
 15 16  1  0
  7  6  2  0
 20  2  1  0
 19  5  1  0
  6  5  1  0
 15 14  1  0
  6 12  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
 14 32  1  1
 11 31  1  0
  9 30  1  0
  8 29  1  0
 21 39  1  0
 21 40  1  0
 20 38  1  1
 19 37  1  1
 18 36  1  0
 17 35  1  0
 15 33  1  6
 16 34  1  0
M  END


  Mrv0541 02241209002D          

 21 25  0  0  0  0            999 V2000
   -1.8984    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5767   -2.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1661   -1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9819   -1.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700   -0.8249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1661    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5767   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1661   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8271   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8271    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9819    2.0646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5767    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1661    0.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1661    1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5767    2.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9819   -2.0646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  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
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0237811

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1CCC23C4OC5=C(O)C=CC(CC1C2C=CC4O)=C35

> <INCHI_IDENTIFIER>
InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3

> <INCHI_KEY>
BQJCRHHNABKAKU-UHFFFAOYSA-N

> <FORMULA>
C17H19NO3

> <MOLECULAR_WEIGHT>
285.3377

> <EXACT_MASS>
285.136493479

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
29.89781283798344

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol

> <ALOGPS_LOGP>
0.99

> <JCHEM_LOGP>
0.8952108197005931

> <ALOGPS_LOGS>
-1.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.78310964250598

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.25560977784915

> <JCHEM_PKA_STRONGEST_BASIC>
9.121584985349202

> <JCHEM_POLAR_SURFACE_AREA>
52.93000000000001

> <JCHEM_REFRACTIVITY>
80.1224

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.02e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      -3.544   0.000   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.310  -1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.310  -3.083   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.077  -3.854   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.310  -3.083   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.700  -2.927   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       2.931  -1.540   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       3.393   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.310   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.077  -0.769   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.310  -1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.544  -0.769   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.544   0.771   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -3.700   3.854   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.310   3.083   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.310   1.543   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.077   0.771   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.310   1.543   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.310   3.083   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.077   3.854   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -3.700  -3.854   0.000  0.00  0.00           O+0
CONECT    1    2   16                                                       
CONECT    2    1    3   10                                                  
CONECT    3    2    4   21                                                  
CONECT    4    3    5                                                       
CONECT    5    4   11                                                       
CONECT    6    7                                                            
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    2    9   11   17                                             
CONECT   11    5   10   12                                                  
CONECT   12    7   11   13                                                  
CONECT   13   12   18                                                       
CONECT   14   15                                                            
CONECT   15   14   16   20                                                  
CONECT   16    1   15   17                                                  
CONECT   17   10   16   18                                                  
CONECT   18   13   17   19                                                  
CONECT   19   18   20                                                       
CONECT   20   15   19                                                       
CONECT   21    3                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₁₉NO₃

Average Mass

285.3377 Da

Monoisotopic Mass

285.13649 Da

IUPAC Name

4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol

Traditional Name

4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol

CAS Registry Number

Not Available

SMILES

CN1CCC23C4OC5=C(O)C=CC(CC1C2C=CC4O)=C35

InChI Identifier

InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3

InChI Key

BQJCRHHNABKAKU-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
Papaver commutatum	LOTUS Database	35616633
Papaver somniferum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Morphinans

Sub Class

Not Available

Direct Parent

Morphinans

Alternative Parents

Not Available

Substituents

Not Available

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	0.99	ALOGPS
logP	0.9	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	10.26	ChemAxon
pKa (Strongest Basic)	9.12	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	52.93 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	80.12 m³·mol⁻¹	ChemAxon
Polarizability	29.9 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

HMDB0040987

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB020846

KNApSAcK ID

Not Available

Chemspider ID

4103

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

4253

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol (NP0237811)

MOL for NP0237811 (4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol)

3D MOL for NP0237811 (4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol)

3D SDF for NP0237811 (4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol)

3D-SDF for NP0237811 (4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol)

PDB for NP0237811 (4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol)

3D PDB for NP0237811 (4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol)

SMILES for NP0237811 (4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol)

INCHI for NP0237811 (4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol)

Structure for NP0237811 (4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol)

3D Structure for NP0237811 (4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol)