NP-MRD: Showing NP-Card for 9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate (NP0300408)

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Record Information

Version

2.0

Created at

2022-09-10 12:47:31 UTC

Updated at

2022-09-10 12:47:31 UTC

NP-MRD ID

NP0300408

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate

Description

9-Hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]Heptadeca-6(17),7,9,15-tetraen-14-yl acetate belongs to the class of organic compounds known as galanthamine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids with a structure characterized a tetracyclic skeleton with two ortho aromatic protons in ring A. 9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate is found in Crinum kirkii. 9-Hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]Heptadeca-6(17),7,9,15-tetraen-14-yl acetate 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
    6.3596    0.4041   -1.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1346    0.6829   -0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826    1.3152    0.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9214    0.2217   -0.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7087    0.4303   -0.3302 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6844    1.1146   -1.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3978    0.7964   -1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1416   -0.2849   -0.1969 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6706   -1.4066   -1.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8809   -0.9932   -1.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515   -1.2822   -1.0807 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1360   -1.7922   -1.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4983   -0.0525   -0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355    0.3767    0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471    0.9629    1.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5710    1.4443    2.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1996    1.3330    2.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5015    1.8106    3.9763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5034    0.7372    1.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1866    0.2737    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8796    0.4926    1.6338 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8920   -0.6986    0.8189 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2023   -0.9299    0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459    1.1452   -0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2270    0.3707   -2.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7628   -0.5922   -0.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8938    1.0167    0.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9744    1.9185   -1.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3360    1.3412   -1.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9470   -2.2998   -0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1247   -1.6811   -1.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9029   -1.6705   -2.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8197    0.0276   -2.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7955   -0.9811   -2.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8176   -2.4431   -1.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7830   -2.3486   -2.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848    0.7111   -1.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4566   -0.2692    0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3220    1.0850    1.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0910    1.9109    3.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9693    2.2423    4.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5486   -1.5147    1.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543   -1.6242   -0.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9548   -1.3007    0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  6
  7  6  2  0
  6  5  1  0
  5 23  1  0
 23 22  1  0
 22 21  1  0
 21 19  1  0
 19 17  2  0
 17 18  1  0
 17 16  1  0
 16 15  2  0
 15 14  1  0
 14 13  1  0
 14 20  2  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
 13 11  1  0
 22  8  1  0
 20 19  1  0
 20  8  1  0
 12 34  1  0
 12 35  1  0
 12 36  1  0
 10 32  1  0
 10 33  1  0
  9 30  1  0
  9 31  1  0
  7 29  1  0
  6 28  1  0
  5 27  1  1
 23 43  1  0
 23 44  1  0
 22 42  1  1
 18 41  1  0
 16 40  1  0
 15 39  1  0
 13 37  1  0
 13 38  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
M  END


  Mrv1533004191513112D          

 23 26  0  0  0  0            999 V2000
    2.3019    4.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4806    3.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    3.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1140    2.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2310    1.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817    1.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5891    1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    0.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2950    0.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4877    0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8213    0.0573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1528    0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3462    0.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930   -0.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7929    0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903    1.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9598    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4060    1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6531    0.8184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9097    0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7171   -0.1354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590   -0.5799    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  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  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  2 18  1  0  0  0  0
 17 19  2  0  0  0  0
  5 19  1  0  0  0  0
 12 19  1  0  0  0  0
  8 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
M  END
> <DATABASE_ID>
NP0300408

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1CCC23C=CC(CC2OC2=C(O)C=CC(C1)=C32)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H21NO4/c1-11(20)22-13-5-6-18-7-8-19(2)10-12-3-4-14(21)17(16(12)18)23-15(18)9-13/h3-6,13,15,21H,7-10H2,1-2H3

> <INCHI_KEY>
LBXRKDGNBSYDML-UHFFFAOYSA-N

> <FORMULA>
C18H21NO4

> <MOLECULAR_WEIGHT>
315.369

> <EXACT_MASS>
315.14705816

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
33.59537827048497

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6(17),7,9,15-tetraen-14-yl acetate

> <ALOGPS_LOGP>
1.73

> <JCHEM_LOGP>
1.2018316112171197

> <ALOGPS_LOGS>
-2.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.835325315351318

> <JCHEM_PKA_STRONGEST_BASIC>
8.697791172260558

> <JCHEM_POLAR_SURFACE_AREA>
59.00000000000001

> <JCHEM_REFRACTIVITY>
86.97409999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.23e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6(17),7,9,15-tetraen-14-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       4.297   7.893   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       4.631   6.390   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       6.041   5.688   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.813   4.103   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.031   2.478   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.059   3.625   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.566   3.308   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.045   1.845   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.017   0.698   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.510   1.015   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.266   0.107   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.019   1.009   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.513   0.686   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.040  -0.780   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.480   1.828   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.953   3.294   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.528   3.677   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.658   5.169   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.491   2.475   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      10.552   1.528   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      11.032   0.064   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      12.539  -0.253   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      10.004  -1.083   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   10   19                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   20                                                  
CONECT    9    8   10                                                       
CONECT   10    9    5   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17    2                                                       
CONECT   19   17    5   12                                                  
CONECT   20    8   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Value	Source
9-Hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0,.0,]heptadeca-6(17),7,9,15-tetraen-14-yl acetic acid	Generator
9-Hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6(17),7,9,15-tetraen-14-yl acetic acid	Generator

Chemical Formula

C₁₈H₂₁NO₄

Average Mass

315.3690 Da

Monoisotopic Mass

315.14706 Da

IUPAC Name

9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6(17),7,9,15-tetraen-14-yl acetate

Traditional Name

9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6(17),7,9,15-tetraen-14-yl acetate

CAS Registry Number

Not Available

SMILES

CN1CCC23C=CC(CC2OC2=C(O)C=CC(C1)=C32)OC(C)=O

InChI Identifier

InChI=1S/C18H21NO4/c1-11(20)22-13-5-6-18-7-8-19(2)10-12-3-4-14(21)17(16(12)18)23-15(18)9-13/h3-6,13,15,21H,7-10H2,1-2H3

InChI Key

LBXRKDGNBSYDML-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
Crinum kirkii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as galanthamine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids with a structure characterized a tetracyclic skeleton with two ortho aromatic protons in ring A.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Amaryllidaceae alkaloids

Sub Class

Galanthamine-type amaryllidaceae alkaloids

Direct Parent

Galanthamine-type amaryllidaceae alkaloids

Alternative Parents

Substituents

Galanthamine-type amaryllidaceae alkaloid
Benzazepine
Coumaran
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Azepine
Aralkylamine
Benzenoid
Amino acid or derivatives
Carboxylic acid ester
Tertiary amine
Tertiary aliphatic amine
Carboxylic acid derivative
Ether
Monocarboxylic acid or derivatives
Oxacycle
Azacycle
Organoheterocyclic compound
Amine
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Organic oxide
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	1.73	ALOGPS
logP	1.2	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	9.84	ChemAxon
pKa (Strongest Basic)	8.7	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	59 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	86.97 m³·mol⁻¹	ChemAxon
Polarizability	33.6 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

14413745

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate (NP0300408)

MOL for NP0300408 (9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate)

3D MOL for NP0300408 (9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate)

3D SDF for NP0300408 (9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate)

3D-SDF for NP0300408 (9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate)

PDB for NP0300408 (9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate)

3D PDB for NP0300408 (9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate)

SMILES for NP0300408 (9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate)

INCHI for NP0300408 (9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate)

Structure for NP0300408 (9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate)

3D Structure for NP0300408 (9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl acetate)