NP-MRD: Showing NP-Card for 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one (NP0204186)

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Record Information

Version

2.0

Created at

2022-09-04 23:48:39 UTC

Updated at

2022-09-04 23:48:39 UTC

NP-MRD ID

NP0204186

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one

Description

3-{[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]Icosa-1(20),2,13,15(19)-tetraen-4-one belongs to the class of organic compounds known as cephalotaxus alkaloids. These are alkaloids with a structure based on the cephalotaxine skeleton, a tetracyclic 1,3-benzodioxole-containing compound which arises from the skeletal rearrangement of the hydroaromatic component of the Erythrina group. 3-{[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]Icosa-1(20),2,13,15(19)-tetraen-4-one is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251504112D          

 33 38  0  0  0  0            999 V2000
    2.2683    4.7263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3988    3.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695    3.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2999    2.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0706    2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2011    1.6937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5608    1.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6054    0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3175   -0.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9655    0.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7317    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4717    0.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0472   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6630   -0.8185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8499   -0.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2020   -1.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4357   -0.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8711   -1.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0488   -1.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880   -0.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7630   -0.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5009    0.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0940    0.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357    0.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7636    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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    1.9279    0.5554    1.0801 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0291    0.4444   -0.2996 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0110   -0.9658   -1.8183 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5284    1.0088   -0.3391 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7638   -3.2698   -0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1533004251504112D          

 33 38  0  0  0  0            999 V2000
    2.2683    4.7263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3988    3.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695    3.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0706    2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2011    1.6937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5608    1.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2207    4.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0204186

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1OC(OC2=C3C4=CC5=C(OCO5)C=C4CCN4CCCC34CC2=O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C23H27NO9/c25-9-16-18(27)19(28)20(29)22(32-16)33-21-13(26)8-23-3-1-4-24(23)5-2-11-6-14-15(31-10-30-14)7-12(11)17(21)23/h6-7,16,18-20,22,25,27-29H,1-5,8-10H2

> <INCHI_KEY>
IEFSPRSJDHOIOL-UHFFFAOYSA-N

> <FORMULA>
C23H27NO9

> <MOLECULAR_WEIGHT>
461.467

> <EXACT_MASS>
461.168581453

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
45.66943632101912

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one

> <ALOGPS_LOGP>
0.00

> <JCHEM_LOGP>
-0.6359136926666664

> <ALOGPS_LOGS>
-1.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.196018147159293

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.200002326399146

> <JCHEM_PKA_STRONGEST_BASIC>
8.261552076506252

> <JCHEM_POLAR_SURFACE_AREA>
138.15

> <JCHEM_REFRACTIVITY>
113.09279999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.25e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  O   UNK     0       4.234   8.822   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       4.478   7.302   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.916   6.752   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       6.160   5.232   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       7.599   4.682   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       7.842   3.162   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.647   2.190   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.730   0.653   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.059  -0.125   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.269   0.828   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.699   0.257   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      12.080   0.938   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      13.155  -0.165   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.438  -1.528   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      10.920  -1.267   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.710  -2.220   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.280  -1.649   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.226  -2.772   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.691  -2.648   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       4.831  -1.371   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       3.291  -1.385   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.802   0.075   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.909   0.818   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.293   0.098   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.322   1.294   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.159   2.586   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.604   4.023   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       8.794   5.653   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      10.232   5.104   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       8.550   7.174   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       9.745   8.145   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       7.111   7.724   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       6.868   9.244   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   32                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   28                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   26                                                  
CONECT    8    7    9   24                                                  
CONECT    9    8   10   17                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   15                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   11   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16    9   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   24                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23    8   20   25                                             
CONECT   25   24   26                                                       
CONECT   26   25    7   27                                                  
CONECT   27   26                                                            
CONECT   28    5   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30    3   33                                                  
CONECT   33   32                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₂₇NO₉

Average Mass

461.4670 Da

Monoisotopic Mass

461.16858 Da

IUPAC Name

3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one

Traditional Name

3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one

CAS Registry Number

Not Available

SMILES

OCC1OC(OC2=C3C4=CC5=C(OCO5)C=C4CCN4CCCC34CC2=O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C23H27NO9/c25-9-16-18(27)19(28)20(29)22(32-16)33-21-13(26)8-23-3-1-4-24(23)5-2-11-6-14-15(31-10-30-14)7-12(11)17(21)23/h6-7,16,18-20,22,25,27-29H,1-5,8-10H2

InChI Key

IEFSPRSJDHOIOL-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cephalotaxus alkaloids. These are alkaloids with a structure based on the cephalotaxine skeleton, a tetracyclic 1,3-benzodioxole-containing compound which arises from the skeletal rearrangement of the hydroaromatic component of the Erythrina group.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Cephalotaxus alkaloids

Sub Class

Not Available

Direct Parent

Cephalotaxus alkaloids

Alternative Parents

Substituents

Cephalotaxine
Hexose monosaccharide
Benzazepine
Glycosyl compound
O-glycosyl compound
Benzodioxole
Azepine
Aralkylamine
Oxane
N-alkylpyrrolidine
Benzenoid
Monosaccharide
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Ketone
Cyclic ketone
Secondary alcohol
Acetal
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Aldehyde
Alcohol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Amine
Primary alcohol
Organonitrogen compound
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	0	ALOGPS
logP	-0.64	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	8.26	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	138.15 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	113.09 m³·mol⁻¹	ChemAxon
Polarizability	45.67 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one (NP0204186)

MOL for NP0204186 (3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one)

3D MOL for NP0204186 (3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one)

3D SDF for NP0204186 (3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one)

3D-SDF for NP0204186 (3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one)

PDB for NP0204186 (3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one)

3D PDB for NP0204186 (3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one)

SMILES for NP0204186 (3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one)

INCHI for NP0204186 (3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one)

Structure for NP0204186 (3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one)

3D Structure for NP0204186 (3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one)