NP-MRD: Showing NP-Card for (6r)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one (NP0165870)

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Record Information

Version

2.0

Created at

2022-09-03 01:07:00 UTC

Updated at

2022-09-03 01:07:00 UTC

NP-MRD ID

NP0165870

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6r)-3-hydroxy-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

Demethylcephalotaxinone 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. (6r)-3-hydroxy-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 found in Cephalotaxus fortunei and Cephalotaxus harringtonia. (6r)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one was first documented in 2021 (PMID: 33983750). Based on a literature review very few articles have been published on Demethylcephalotaxinone.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 43  0  0  0  0  0  0  0  0999 V2000
   -2.4883    3.7348   -0.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9064    2.6294   -0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7016    1.3635   -0.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981    0.3268   -0.0401 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0639   -0.1865    1.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1962   -1.1651    0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1486   -1.2976   -0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.8083   -0.9283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8972   -1.8695   -0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4122   -1.7949   -1.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3078   -0.8810   -0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6089   -1.3039   -0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5232   -0.5324    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1635    0.6656    0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8508    1.1092    0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9391    0.3404   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3787    0.9906   -0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4868    2.3038   -0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986    3.2605   -0.3861 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2250    1.2752    1.3451 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3754    0.5402    0.9749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   -0.6803    0.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6090    1.3682    0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9932    1.2476   -1.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2412   -0.7056    1.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321    0.6002    2.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0901   -2.1198    1.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1575   -0.6312    1.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471   -2.3713   -0.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9432   -0.7176   -1.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3908   -2.8243   -1.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6505   -2.0291    0.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -1.4209   -2.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8531   -2.8134   -1.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8936   -2.2436   -0.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380    2.0275    1.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341    3.2354   -1.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0268    1.0849    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9311    0.2926    1.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
 18 17  2  0
 17 16  1  0
 16 15  2  0
 15 14  1  0
 14 13  2  0
 13 22  1  0
 22 21  1  0
 21 20  1  0
 13 12  1  0
 12 11  2  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  4  5  1  1
  4  3  1  0
  3  2  1  0
  2  1  2  0
  2 18  1  0
  4 17  1  0
 11 16  1  0
  4  8  1  0
 20 14  1  0
 19 37  1  0
 15 36  1  0
 21 38  1  0
 21 39  1  0
 12 35  1  0
 10 33  1  0
 10 34  1  0
  9 31  1  0
  9 32  1  0
  7 29  1  0
  7 30  1  0
  6 27  1  0
  6 28  1  0
  5 25  1  0
  5 26  1  0
  3 23  1  0
  3 24  1  0
M  END


  Mrv1652309032203072D          

 22 26  0  0  1  0            999 V2000
    0.2544   -3.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5548   -2.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1316   -1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6329   -0.9270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0411   -1.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018   -0.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4362   -0.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3887   -0.1390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8526    0.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752    0.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2371    0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047    0.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504   -0.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285   -1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7609   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1152   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4013   -1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3530   -2.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9909   -2.5742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2668   -1.3932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8450   -0.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641   -0.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0165870

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=C2C3=CC4=C(OCO4)C=C3CCN3CCC[C@@]23CC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H17NO4/c19-12-8-17-3-1-4-18(17)5-2-10-6-13-14(22-9-21-13)7-11(10)15(17)16(12)20/h6-7,20H,1-5,8-9H2/t17-/m1/s1

> <INCHI_KEY>
FDWVASNYLQYPMN-QGZVFWFLSA-N

> <FORMULA>
C17H17NO4

> <MOLECULAR_WEIGHT>
299.326

> <EXACT_MASS>
299.115758031

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
31.167296842591515

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(6R)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.0^{2,6}.0^{6,10}.0^{15,19}]icosa-1(20),2,13,15(19)-tetraen-4-one

> <ALOGPS_LOGP>
1.06

> <JCHEM_LOGP>
1.2551700726065795

> <ALOGPS_LOGS>
-2.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.478280778428216

> <JCHEM_PKA_STRONGEST_BASIC>
7.415997366702558

> <JCHEM_POLAR_SURFACE_AREA>
59.000000000000014

> <JCHEM_REFRACTIVITY>
80.67950000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.78e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6R)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.0^{2,6}.0^{6,10}.0^{15,19}]icosa-1(20),2,13,15(19)-tetraen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  O   UNK     0       0.475  -5.652   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.036  -4.218   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.246  -3.135   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.181  -1.730   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.077  -2.619   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.310  -1.696   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.814  -0.238   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       0.726  -0.259   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       1.591   1.014   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.127   1.131   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.176   0.004   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.609   0.568   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.814  -0.391   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.586  -1.914   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.154  -2.478   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.948  -1.520   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.616  -2.291   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.526  -3.829   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       3.716  -4.805   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       7.965  -2.601   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       9.044  -1.502   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       8.333  -0.136   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    8   17                                             
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    4    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15   20                                                  
CONECT   15   14   16                                                       
CONECT   16   15   11   17                                                  
CONECT   17   16    4   18                                                  
CONECT   18   17    2   19                                                  
CONECT   19   18                                                            
CONECT   20   14   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   13                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₁₇NO₄

Average Mass

299.3260 Da

Monoisotopic Mass

299.11576 Da

IUPAC Name

(6R)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.0^{2,6}.0^{6,10}.0^{15,19}]icosa-1(20),2,13,15(19)-tetraen-4-one

Traditional Name

(6R)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.0^{2,6}.0^{6,10}.0^{15,19}]icosa-1(20),2,13,15(19)-tetraen-4-one

CAS Registry Number

Not Available

SMILES

OC1=C2C3=CC4=C(OCO4)C=C3CCN3CCC[C@@]23CC1=O

InChI Identifier

InChI=1S/C17H17NO4/c19-12-8-17-3-1-4-18(17)5-2-10-6-13-14(22-9-21-13)7-11(10)15(17)16(12)20/h6-7,20H,1-5,8-9H2/t17-/m1/s1

InChI Key

FDWVASNYLQYPMN-QGZVFWFLSA-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
Cephalotaxus fortunei	LOTUS Database	35616633
Cephalotaxus harringtonia	LOTUS Database	35616633

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
Benzazepine
Benzodioxole
Azepine
Aralkylamine
Benzenoid
N-alkylpyrrolidine
Pyrrolidine
Ketone
Tertiary amine
Tertiary aliphatic amine
Cyclic ketone
Acetal
Enol
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Aldehyde
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Amine
Organic nitrogen 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	1.06	ALOGPS
logP	1.26	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	8.48	ChemAxon
pKa (Strongest Basic)	7.42	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	59 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	80.68 m³·mol⁻¹	ChemAxon
Polarizability	31.17 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

C00027341

Chemspider ID

82964700

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101858017

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Sakai T, Okumura C, Futamura M, Noda N, Nagae A, Kitamoto C, Kamiya M, Mori Y: Gold(I)-Catalyzed Cyclization-3-Aza-Cope-Mannich Cascade and Its Application to the Synthesis of Cephalotaxine. Org Lett. 2021 Jun 4;23(11):4391-4395. doi: 10.1021/acs.orglett.1c01323. Epub 2021 May 13. [PubMed:33983750 ]
LOTUS database [Link]

Showing NP-Card for (6r)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one (NP0165870)

MOL for NP0165870 ((6r)-3-hydroxy-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 NP0165870 ((6r)-3-hydroxy-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 NP0165870 ((6r)-3-hydroxy-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 NP0165870 ((6r)-3-hydroxy-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 NP0165870 ((6r)-3-hydroxy-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 NP0165870 ((6r)-3-hydroxy-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 NP0165870 ((6r)-3-hydroxy-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 NP0165870 ((6r)-3-hydroxy-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 NP0165870 ((6r)-3-hydroxy-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 NP0165870 ((6r)-3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.0²,⁶.0⁶,¹⁰.0¹⁵,¹⁹]icosa-1(20),2,13,15(19)-tetraen-4-one)