NP-MRD: Showing NP-Card for 19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol (NP0161500)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-02 19:41:14 UTC

Updated at

2022-09-02 19:41:14 UTC

NP-MRD ID

NP0161500

Secondary Accession Numbers

None

Natural Product Identification

Common Name

19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol

Description

Erythratine belongs to the class of organic compounds known as erythrinanes. These are erythrina alkaloids possessing either a 6-5-6-6-membered indoloisoquinoline core or a derivative thereof. Erythratine is a very strong basic compound (based on its pKa). Outside of the human body, erythratine has been detected, but not quantified in, green vegetables. 19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol is found in Erythrina crista-galli, Erythrina fusca, Erythrina herbacea and Erythrina latissima. This could make erythratine a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 48  0  0  0  0  0  0  0  0999 V2000
   -4.7361   -1.1369    0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5354   -1.5525   -0.4659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483   -0.4931   -0.3927 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4085   -0.8458    0.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312    0.2949    0.3879 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7938    1.4002   -0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176    1.3030   -1.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2171   -0.0419   -1.7961 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2963   -0.9765   -2.2460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0376    2.5741   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931    2.3130    1.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4967    0.9376    1.6829 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1967    0.2944    2.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -0.9174    2.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6679   -0.7649    1.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9565   -1.2083    0.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5918   -1.0588   -0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860   -0.4519   -1.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5816   -0.0101   -1.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594   -0.1575    0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7361   -0.4318   -2.4494 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0713   -0.5434   -1.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526   -1.3977   -0.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6209   -0.8399    1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1021   -0.2432   -0.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4627   -1.9763    0.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1040    0.3993    0.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7582   -1.0993    1.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510   -1.7909    0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8236    2.1617   -2.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0970    0.0197   -2.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7692   -1.7297   -2.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9994    2.5406   -0.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5387    3.5196   -0.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    2.9975    1.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8518    2.5698    1.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8885    1.0120    3.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5432    0.0055    3.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3506   -1.8241    2.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7024   -1.1038    3.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5184   -1.6789    1.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0425    0.4582   -1.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3448    0.4353   -1.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7638   -0.9618   -2.6753 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  1
  5 12  1  0
 12 11  1  0
 11 10  1  0
 10  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 18 19  1  0
 19 20  2  0
  8  3  1  0
 20 15  1  0
  6  5  1  0
 23 17  1  0
 20  5  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  1
  4 28  1  0
  4 29  1  0
 11 35  1  0
 11 36  1  0
 10 33  1  0
 10 34  1  0
  7 30  1  0
  8 31  1  6
  9 32  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  0
 14 40  1  0
 16 41  1  0
 22 43  1  0
 22 44  1  0
 19 42  1  0
M  END


  Mrv0541 05061305032D          

 23 27  0  0  0  0            999 V2000
    3.7329    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849   -1.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0436    0.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9770   -1.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0380    0.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414   -0.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579    1.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6226    0.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1541    0.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7654    0.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3335   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8495    1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0740    0.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0829    1.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6899   -0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4305    0.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4995    1.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661    0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7176   -0.2731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4913    2.4936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3245    1.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5149   -0.1529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0952    1.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
 11  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17  9  1  0  0  0  0
 17 14  1  0  0  0  0
 18  9  1  0  0  0  0
 18 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19  4  1  0  0  0  0
 19  5  1  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 21  1  1  0  0  0  0
 21 17  1  0  0  0  0
 22 10  1  0  0  0  0
 22 15  1  0  0  0  0
 23 10  1  0  0  0  0
 23 16  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0161500

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1CC23N(CCC2=CC1O)CCC1=CC2=C(OCO2)C=C31

> <INCHI_IDENTIFIER>
InChI=1S/C18H21NO4/c1-21-17-9-18-12(7-14(17)20)3-5-19(18)4-2-11-6-15-16(8-13(11)18)23-10-22-15/h6-8,14,17,20H,2-5,9-10H2,1H3

> <INCHI_KEY>
ZIAIDGYDHGYWBH-UHFFFAOYSA-N

> <FORMULA>
C18H21NO4

> <MOLECULAR_WEIGHT>
315.3636

> <EXACT_MASS>
315.147058165

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
33.54438028778797

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol

> <ALOGPS_LOGP>
0.65

> <JCHEM_LOGP>
1.129235817999999

> <ALOGPS_LOGS>
-2.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.805416192939873

> <JCHEM_PKA_STRONGEST_BASIC>
8.55170917590821

> <JCHEM_POLAR_SURFACE_AREA>
51.16000000000001

> <JCHEM_REFRACTIVITY>
85.6786

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.94e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol

> <JCHEM_VEBER_RULE>
0

$$$$

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       6.968   3.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.332  -2.283   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.081   1.641   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.824  -1.972   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.071   0.108   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.864  -1.444   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.348   3.308   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.896   1.479   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.021   0.833   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.895   1.182   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.356  -1.133   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.586   1.970   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.871   0.329   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.888   3.317   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.888  -0.294   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.404   1.168   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.666   1.987   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.363   0.640   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       1.340  -0.510   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0       4.650   4.655   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       6.206   1.996   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       8.428  -0.285   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       7.644   2.080   0.000  0.00  0.00           O+0
CONECT    1   21                                                            
CONECT    2    4   11                                                       
CONECT    3    5   12                                                       
CONECT    4    2   19                                                       
CONECT    5    3   19                                                       
CONECT    6   11   15                                                       
CONECT    7   12   14                                                       
CONECT    8   13   16                                                       
CONECT    9   17   18                                                       
CONECT   10   22   23                                                       
CONECT   11    2    6   13                                                  
CONECT   12    3    7   18                                                  
CONECT   13    8   11   18                                                  
CONECT   14    7   17   20                                                  
CONECT   15    6   16   22                                                  
CONECT   16    8   15   23                                                  
CONECT   17    9   14   21                                                  
CONECT   18    9   12   13   19                                             
CONECT   19    4    5   18                                                  
CONECT   20   14                                                            
CONECT   21    1   17                                                       
CONECT   22   10   15                                                       
CONECT   23   10   16                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   54    0
END

View in JSmol

Synonyms

Value	Source
1,6-Didehydro-3-methoxy-15,16-[methylenebis(oxy)]erythrinan-2-ol, 9ci	HMDB

Chemical Formula

C₁₈H₂₁NO₄

Average Mass

315.3636 Da

Monoisotopic Mass

315.14706 Da

IUPAC Name

19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol

Traditional Name

19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol

CAS Registry Number

Not Available

SMILES

COC1CC23N(CCC2=CC1O)CCC1=CC2=C(OCO2)C=C31

InChI Identifier

InChI=1S/C18H21NO4/c1-21-17-9-18-12(7-14(17)20)3-5-19(18)4-2-11-6-15-16(8-13(11)18)23-10-22-15/h6-8,14,17,20H,2-5,9-10H2,1H3

InChI Key

ZIAIDGYDHGYWBH-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
Erythrina crista-galli	LOTUS Database	35616633
Erythrina fusca	LOTUS Database	35616633
Erythrina herbacea	LOTUS Database	35616633
Erythrina latissima	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as erythrinanes. These are erythrina alkaloids possessing either a 6-5-6-6-membered indoloisoquinoline core or a derivative thereof.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Erythrina alkaloids

Sub Class

Erythrinanes

Direct Parent

Erythrinanes

Alternative Parents

Substituents

Erythrinane skeleton
Tetrahydroisoquinoline
Benzodioxole
Indole or derivatives
Aralkylamine
Benzenoid
N-alkylpyrrolidine
Pyrrolidine
Secondary alcohol
Tertiary amine
Tertiary aliphatic amine
Oxacycle
Dialkyl ether
Ether
Azacycle
Acetal
Organoheterocyclic compound
Organopnictogen compound
Amine
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
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	0.65	ALOGPS
logP	1.13	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	13.81	ChemAxon
pKa (Strongest Basic)	8.55	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	51.16 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	85.68 m³·mol⁻¹	ChemAxon
Polarizability	33.54 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

HMDB0030181

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB001997

KNApSAcK ID

C00030212

Chemspider ID

536982

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

617879

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol (NP0161500)

MOL for NP0161500 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol)

3D MOL for NP0161500 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol)

3D SDF for NP0161500 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol)

3D-SDF for NP0161500 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol)

PDB for NP0161500 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol)

3D PDB for NP0161500 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol)

SMILES for NP0161500 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol)

INCHI for NP0161500 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol)

Structure for NP0161500 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol)

3D Structure for NP0161500 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraen-18-ol)