NP-MRD: Showing NP-Card for 5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one (NP0209510)

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Record Information

Version

2.0

Created at

2022-09-05 06:56:59 UTC

Updated at

2022-09-05 06:56:59 UTC

NP-MRD ID

NP0209510

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one

Description

5,11-Dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]Heptadeca-2,4,6-trien-8-one belongs to the class of organic compounds known as homolycorine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds containing the homolycorine skeleton, made up of a [3,4-g]benzopyranone ring due to the oxidation of the hydroxyl group at the C6. They are biogenetically formed through a restructuring of lycorine-type alkaloids. 5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one is found in Clivia miniata. 5,11-Dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]Heptadeca-2,4,6-trien-8-one is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
    2.9282    2.5011   -1.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    1.3028   -1.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9856    0.2697   -0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6963    0.4342    0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0459   -0.5877    0.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7109   -1.7551    0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0424   -1.9058    0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6809   -0.8948   -0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9870   -1.0889   -0.5484 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772   -2.8752    1.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7122   -3.9495    1.8688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2337   -2.6846    2.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0699   -1.7415    1.3862 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3502   -0.4305    1.1825 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1448    0.5570    0.4253 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4928   -0.1246    0.0839 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2500    1.0181   -0.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6696    2.2065    0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6806    1.6693    1.1453 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7876    2.7144    1.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3139   -1.3282   -0.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5726   -2.3580    0.1015 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5376   -2.8652   -0.6734 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4880    3.1825   -1.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6683    3.0214   -0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9319    2.2633   -1.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287    1.3435   -0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217   -2.8537    0.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921   -1.9397   -0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9499   -1.6435    2.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2430   -0.0106    2.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7490    0.8288   -0.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9748   -0.3209    1.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966    1.0897   -1.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3195    0.9542   -0.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4464    2.7597    0.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1663    2.8406   -0.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2311    3.2852    2.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2027    2.3589    1.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6611    3.4794    0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7683   -1.1293   -1.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3174   -1.7572   -0.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2490   -3.1954    0.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6572   -2.6406   -1.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  6 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 22  1  0
 22 23  1  0
 22 21  1  0
 21 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 15  1  0
 15 14  1  0
  8  3  1  0
 14 13  1  0
 14  5  1  0
 15 16  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  7 28  1  0
  9 29  1  0
 13 30  1  1
 22 43  1  1
 23 44  1  0
 21 41  1  0
 21 42  1  0
 16 33  1  1
 17 34  1  0
 17 35  1  0
 18 36  1  0
 18 37  1  0
 20 38  1  0
 20 39  1  0
 20 40  1  0
 15 32  1  6
 14 31  1  1
M  END


  Mrv1533004151517102D          

 23 26  0  0  0  0            999 V2000
    5.5919    2.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8593    2.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8217    1.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0892    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0516    0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3191   -0.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2815   -1.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9764   -1.6153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7089   -1.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4038   -1.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7465   -0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4790   -0.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2492    1.1715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5489   -1.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113   -2.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540   -1.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8916   -0.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3043    0.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6739    1.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4896    0.9121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0690    1.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241    0.0981    0.0000 C   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  5 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6 23  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0209510

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(C=C1O)C(=O)OC1C(O)CC3CCN(C)C3C21

> <INCHI_IDENTIFIER>
InChI=1S/C17H21NO5/c1-18-4-3-8-5-12(20)16-14(15(8)18)9-7-13(22-2)11(19)6-10(9)17(21)23-16/h6-8,12,14-16,19-20H,3-5H2,1-2H3

> <INCHI_KEY>
NUGCVLFNUSOVOG-UHFFFAOYSA-N

> <FORMULA>
C17H21NO5

> <MOLECULAR_WEIGHT>
319.357

> <EXACT_MASS>
319.14197278

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
33.02423817963695

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one

> <ALOGPS_LOGP>
1.07

> <JCHEM_LOGP>
0.32076819732498835

> <ALOGPS_LOGS>
-1.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.141171746888848

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.335491180333403

> <JCHEM_PKA_STRONGEST_BASIC>
8.470892895405527

> <JCHEM_POLAR_SURFACE_AREA>
79.23

> <JCHEM_REFRACTIVITY>
83.44919999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.08e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-APR-15         0                                  
HETATM    1  C   UNK     0      10.438   4.555   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       9.071   3.847   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       9.001   2.308   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.633   1.600   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.563   0.062   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.196  -0.647   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.125  -2.185   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       7.423  -3.015   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       8.790  -2.307   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      10.087  -3.137   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       8.860  -0.768   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.228  -0.060   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.298   1.478   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      11.665   2.187   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.758  -2.894   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.688  -4.432   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.461  -2.064   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.531  -0.525   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.435   0.556   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.125   1.933   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       4.647   1.703   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       5.729   2.799   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.898   0.183   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   13                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    7   23                                                  
CONECT    7    6    8   15                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    5   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12    3   14                                                  
CONECT   14   13                                                            
CONECT   15    7   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21    6   18                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₂₁NO₅

Average Mass

319.3570 Da

Monoisotopic Mass

319.14197 Da

IUPAC Name

5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one

Traditional Name

5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(C=C1O)C(=O)OC1C(O)CC3CCN(C)C3C21

InChI Identifier

InChI=1S/C17H21NO5/c1-18-4-3-8-5-12(20)16-14(15(8)18)9-7-13(22-2)11(19)6-10(9)17(21)23-16/h6-8,12,14-16,19-20H,3-5H2,1-2H3

InChI Key

NUGCVLFNUSOVOG-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
Clivia miniata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as homolycorine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds containing the homolycorine skeleton, made up of a [3,4-g]benzopyranone ring due to the oxidation of the hydroxyl group at the C6. They are biogenetically formed through a restructuring of lycorine-type alkaloids.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Amaryllidaceae alkaloids

Sub Class

Homolycorine-type amaryllidaceae alkaloids

Direct Parent

Homolycorine-type amaryllidaceae alkaloids

Alternative Parents

Substituents

Homolycorine skeleton
Benzopyran
Isochromane
2-benzopyran
Indole or derivatives
Anisole
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
N-alkylpyrrolidine
Benzenoid
Cyclic alcohol
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
Amino acid or derivatives
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Azacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Ether
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organonitrogen compound
Amine
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	1.07	ALOGPS
logP	0.32	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	9.34	ChemAxon
pKa (Strongest Basic)	8.47	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	79.23 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	83.45 m³·mol⁻¹	ChemAxon
Polarizability	33.02 Å³	ChemAxon
Number of Rings	4	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

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 5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one (NP0209510)

MOL for NP0209510 (5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one)

3D MOL for NP0209510 (5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one)

3D SDF for NP0209510 (5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one)

3D-SDF for NP0209510 (5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one)

PDB for NP0209510 (5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one)

3D PDB for NP0209510 (5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one)

SMILES for NP0209510 (5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one)

INCHI for NP0209510 (5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one)

Structure for NP0209510 (5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one)

3D Structure for NP0209510 (5,11-dihydroxy-4-methoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5-trien-8-one)