NP-MRD: Showing NP-Card for (1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol (NP0291248)

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Record Information

Version

1.0

Created at

2022-09-09 22:15:59 UTC

Updated at

2022-09-09 22:15:59 UTC

NP-MRD ID

NP0291248

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol

Description

(1S,13R,15S,16S)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]Nonadeca-2,4(8),9,17-tetraene-15,16-diol belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. (1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol is found in Pancratium sickenbergeri. Based on a literature review very few articles have been published on (1S,13R,15S,16S)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]Nonadeca-2,4(8),9,17-tetraene-15,16-diol.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 42  0  0  0  0  0  0  0  0999 V2000
   -3.8960    2.2597    0.5655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0501    1.4365   -0.2216 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7207    1.5365    0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0694    0.5000    0.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2499    0.2709    1.5196 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0723   -1.1637    2.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5926   -1.7239    0.8431 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -1.8276   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -0.8534   -0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4182   -1.0065   -1.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4520   -0.0976   -1.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4658    0.9556   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    1.0814    0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3806    0.1892    0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6175    1.6800   -0.6773 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5337    0.8301   -1.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6049    0.0106   -2.0921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6963   -0.8389    0.7335 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4837   -0.9423   -0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6253    0.0671   -0.3242 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6012   -0.0737   -1.2746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4516    1.7383    1.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0618    1.8734   -1.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2707    2.5056    0.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4273    0.9697    2.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0521   -1.6401    2.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5986   -1.1508    2.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719   -1.7028   -1.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102   -2.8629   -0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3947   -1.8381   -1.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4316    1.8958    1.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1940    1.3836   -2.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    0.2510   -0.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3938   -1.0545    1.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664   -1.9488   -0.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9604   -0.5861   -1.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0557   -0.2001    0.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4754    0.0769   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  2  0
  3  2  1  0
  2  1  1  0
  5 14  1  0
 14 13  2  0
 13 12  1  0
 12 11  2  0
 11 17  1  0
 17 16  1  0
 16 15  1  0
 11 10  1  0
 10  9  2  0
  9  8  1  0
  2 20  1  0
  9 14  1  0
  4 18  1  0
 15 12  1  0
  8  7  1  0
 21 38  1  0
 20 37  1  1
 19 35  1  0
 19 36  1  0
 18 34  1  1
  6 26  1  0
  6 27  1  0
  5 25  1  1
  3 24  1  0
  2 23  1  6
  1 22  1  0
 13 31  1  0
 16 32  1  0
 16 33  1  0
 10 30  1  0
  8 28  1  0
  8 29  1  0
M  END


  Mrv1652309102200162D          

 21 25  0  0  1  0            999 V2000
   -1.8473   -0.7872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2809   -0.1873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4782   -0.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0882    0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8535   -0.0862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8101    0.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3226    1.6899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7017    1.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4722    1.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1127    0.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9826    0.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2121   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    0.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7172   -0.2808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3013    0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9277    1.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1481    1.0123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9507    1.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5171    0.6031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3198    0.7937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  4  1  1  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
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
  5 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
 18  7  1  1  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0291248

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1C[C@H]2N3C[C@H](C2=C[C@@H]1O)C1=CC2=C(OCO2)C=C1C3

> <INCHI_IDENTIFIER>
InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12+,13-,14-/m0/s1

> <INCHI_KEY>
JKZMYBLUKAMPKM-CRWXNKLISA-N

> <FORMULA>
C16H17NO4

> <MOLECULAR_WEIGHT>
287.315

> <EXACT_MASS>
287.115758031

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
28.980840066905344

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,13R,15S,16S)-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{13,18}]nonadeca-2,4(8),9,17-tetraene-15,16-diol

> <JCHEM_LOGP>
0.047983077333333776

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
15.112831009888556

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.630132708719849

> <JCHEM_PKA_STRONGEST_BASIC>
7.772740763926425

> <JCHEM_POLAR_SURFACE_AREA>
62.16000000000001

> <JCHEM_REFRACTIVITY>
76.2368

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,13R,15S,16S)-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{13,18}]nonadeca-2,4(8),9,17-tetraene-15,16-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  O   UNK     0      -3.448  -1.469   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.391  -0.350   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.893  -0.705   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.165   0.414   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.593  -0.161   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.512   1.621   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       0.602   3.154   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       2.139   3.256   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.176   2.118   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.615   2.668   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.810   1.697   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.568   0.177   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.129  -0.373   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.934   0.597   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.939  -0.524   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       8.029   0.563   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.332   1.936   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.276   1.890   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.775   2.245   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.832   1.126   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.330   1.482   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   18                                                  
CONECT    5    4    6   14                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   18                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   17                                                  
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13    9    5                                                  
CONECT   15   12   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   11                                                       
CONECT   18    7    4   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19    2   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₇NO₄

Average Mass

287.3150 Da

Monoisotopic Mass

287.11576 Da

IUPAC Name

(1S,13R,15S,16S)-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{13,18}]nonadeca-2,4(8),9,17-tetraene-15,16-diol

Traditional Name

(1S,13R,15S,16S)-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{13,18}]nonadeca-2,4(8),9,17-tetraene-15,16-diol

CAS Registry Number

Not Available

SMILES

O[C@H]1C[C@H]2N3C[C@H](C2=C[C@@H]1O)C1=CC2=C(OCO2)C=C1C3

InChI Identifier

InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2/t11-,12+,13-,14-/m0/s1

InChI Key

JKZMYBLUKAMPKM-CRWXNKLISA-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
Pancratium sickenbergeri	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Not Available

Sub Class

Not Available

Direct Parent

Alkaloids and derivatives

Alternative Parents

Substituents

Pancranine-skeleton
Benzazepine
Tetrahydroisoquinoline
Benzodioxole
Indole or derivatives
Alkaloid or derivatives
Aralkylamine
Azepine
Benzenoid
N-alkylpyrrolidine
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
1,2-diol
Oxacycle
Organoheterocyclic compound
Azacycle
Acetal
Hydrocarbon derivative
Organonitrogen compound
Organic oxygen compound
Organooxygen compound
Amine
Organic nitrogen compound
Organopnictogen compound
Alcohol
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	0.048	ChemAxon
pKa (Strongest Acidic)	13.63	ChemAxon
pKa (Strongest Basic)	7.77	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	62.16 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	76.24 m³·mol⁻¹	ChemAxon
Polarizability	28.98 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

Not Available

METLIN ID

Not Available

PubChem Compound

99722567

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol (NP0291248)

MOL for NP0291248 ((1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol)

3D MOL for NP0291248 ((1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol)

3D SDF for NP0291248 ((1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol)

3D-SDF for NP0291248 ((1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol)

PDB for NP0291248 ((1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol)

3D PDB for NP0291248 ((1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol)

SMILES for NP0291248 ((1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol)

INCHI for NP0291248 ((1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol)

Structure for NP0291248 ((1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol)

3D Structure for NP0291248 ((1s,13r,15s,16s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]nonadeca-2,4(8),9,17-tetraene-15,16-diol)