NP-MRD: Showing NP-Card for (12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol (NP0251683)

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Record Information

Version

2.0

Created at

2022-09-07 14:56:55 UTC

Updated at

2022-09-07 14:56:55 UTC

NP-MRD ID

NP0251683

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol

Description

Noroliveroline belongs to the class of organic compounds known as hydroxy-7-aporphines. These are aporphines containing a hydroxyl group at the 7-position. (12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol is found in Greenwayodendron oliveri and Siparuna pauciflora. (12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol was first documented in 2008 (PMID: 19102119). Based on a literature review very few articles have been published on noroliveroline (PMID: 23720886).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 36 40  0  0  0  0  0  0  0  0999 V2000
    0.7305   -3.1833    0.6595 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5443   -2.1187   -0.2580 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8960   -1.8657   -0.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7602   -2.9532   -0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979   -2.7710   -0.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5982   -1.4862   -0.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7848   -0.3852   -0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4348   -0.6156   -0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5456    0.5238   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111    1.8388   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1409    2.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999    2.6969    0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6615    1.4146    0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8091    0.3239    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240   -1.0012    0.0984 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6546   -1.0795   -0.6782 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4820    0.0763   -0.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0917    1.0913    0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    4.0894   -0.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2643    3.6934    0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2603    2.3958   -0.3587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7968   -4.0406    0.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8990   -2.5297   -1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3466   -3.9542   -0.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7790   -3.5965   -0.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6710   -1.3675   -0.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2729    0.5608   -0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677    3.5296    0.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7654   -1.1622    1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688   -1.9527   -0.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5228   -0.2647   -0.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5803    0.5974   -1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2479    0.6810    1.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    1.9788    0.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    4.3598   -0.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    3.5594    1.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 13 14  1  0
 14  9  2  0
  9 10  1  0
 10 21  1  0
 21 20  1  0
 20 19  1  0
 19 11  1  0
 11 12  1  0
  9  8  1  0
  8  7  2  0
  7  6  1  0
  6  5  2  0
  5  4  1  0
  4  3  2  0
  3  2  1  0
 14 15  1  0
 11 10  2  0
  3  8  1  0
 12 13  2  0
  1 22  1  0
  2 23  1  6
 15 29  1  1
 16 30  1  0
 17 31  1  0
 17 32  1  0
 18 33  1  0
 18 34  1  0
 20 35  1  0
 20 36  1  0
 12 28  1  0
  7 27  1  0
  6 26  1  0
  5 25  1  0
  4 24  1  0
M  END


  Mrv1652309072216562D          

 21 25  0  0  1  0            999 V2000
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6005    3.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    3.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565    2.6145    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  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
 14 15  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0251683

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1[C@H]2NCCC3=C2C(=C2OCOC2=C3)C2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C17H15NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15-16,18-19H,5-6,8H2/t15-,16-/m0/s1

> <INCHI_KEY>
CKIYSMRPIBQTHQ-HOTGVXAUSA-N

> <FORMULA>
C17H15NO3

> <MOLECULAR_WEIGHT>
281.311

> <EXACT_MASS>
281.105193347

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
29.850684141278737

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(12S,13S)-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1,6,8(20),14,16,18-hexaen-13-ol

> <JCHEM_LOGP>
2.0226014109999992

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.819319852692928

> <JCHEM_PKA_STRONGEST_BASIC>
8.565546066115528

> <JCHEM_POLAR_SURFACE_AREA>
50.72

> <JCHEM_REFRACTIVITY>
77.70600000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(12S,13S)-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1,6,8(20),14,16,18-hexaen-13-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       1.334  -0.770   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.988   6.126   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.519   6.287   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.145   4.880   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   15                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10   14                                                  
CONECT   10    9   11   21                                                  
CONECT   11   10   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13    9   15                                                  
CONECT   15   14    2   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   13                                                       
CONECT   19   11   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   10                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₁₅NO₃

Average Mass

281.3110 Da

Monoisotopic Mass

281.10519 Da

IUPAC Name

(12S,13S)-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1,6,8(20),14,16,18-hexaen-13-ol

Traditional Name

(12S,13S)-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1,6,8(20),14,16,18-hexaen-13-ol

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@H]2NCCC3=C2C(=C2OCOC2=C3)C2=CC=CC=C12

InChI Identifier

InChI=1S/C17H15NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15-16,18-19H,5-6,8H2/t15-,16-/m0/s1

InChI Key

CKIYSMRPIBQTHQ-HOTGVXAUSA-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
Greenwayodendron oliveri	LOTUS Database	35616633
Siparuna pauciflora	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxy-7-aporphines. These are aporphines containing a hydroxyl group at the 7-position.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Aporphines

Sub Class

Hydroxy-7-aporphines

Direct Parent

Hydroxy-7-aporphines

Alternative Parents

Substituents

Hydroxy-7-aporphine
Benzoquinoline
Phenanthrene
Naphthalene
Quinoline
Tetrahydroisoquinoline
Benzodioxole
Aralkylamine
Benzenoid
1,2-aminoalcohol
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Secondary aliphatic amine
Acetal
Secondary amine
Organic oxygen compound
Amine
Organic nitrogen compound
Alcohol
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
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	2.02	ChemAxon
pKa (Strongest Acidic)	13.82	ChemAxon
pKa (Strongest Basic)	8.57	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	50.72 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	77.71 m³·mol⁻¹	ChemAxon
Polarizability	29.85 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

C00027149

Chemspider ID

139487

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Noroliveroline

METLIN ID

Not Available

PubChem Compound

158566

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Naaz H, Singh S, Pandey VP, Singh P, Dwivedi UN: Anti-cholinergic alkaloids as potential therapeutic agents for Alzheimer's disease: an in silico approach. Indian J Biochem Biophys. 2013 Apr;50(2):120-5. [PubMed:23720886 ]
Fall D, Sambou B, Seck M, Wele A, Ndoye I, Gleye C, Laurens A: [Enhancing the anthelminthic activity roots of Annona sengalensis]. Dakar Med. 2008;53(1):61-7. [PubMed:19102119 ]
LOTUS database [Link]

Showing NP-Card for (12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol (NP0251683)

MOL for NP0251683 ((12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol)

3D MOL for NP0251683 ((12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol)

3D SDF for NP0251683 ((12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol)

3D-SDF for NP0251683 ((12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol)

PDB for NP0251683 ((12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol)

3D PDB for NP0251683 ((12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol)

SMILES for NP0251683 ((12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol)

INCHI for NP0251683 ((12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol)

Structure for NP0251683 ((12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol)

3D Structure for NP0251683 ((12s,13s)-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-ol)