NP-MRD: Showing NP-Card for 9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one (NP0147029)

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Record Information

Version

1.0

Created at

2022-09-02 02:32:59 UTC

Updated at

2022-09-02 02:33:00 UTC

NP-MRD ID

NP0147029

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one

Description

Hainanensine belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom). 9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one is found in Dianthus versicolor. It was first documented in 2010 (PMID: 20235558). Based on a literature review very few articles have been published on Hainanensine (PMID: 36004441).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 43  0  0  0  0  0  0  0  0999 V2000
   -1.9914    2.7079    0.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2715    2.0562   -0.2079 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6827    2.5971   -1.4214 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1774    2.0683   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9840    3.0588   -0.0304 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6769    0.7060    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384    0.3446    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379    1.3156    0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2794    0.4964    0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8282   -0.9069   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4499   -0.9858    0.2796 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8013   -2.1627    0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5579   -2.5487    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -1.5582   -0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7567   -2.1729   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8915   -1.4071   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8469   -0.0369   -0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106    0.6068   -0.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4979   -0.1741   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1073    0.5035   -0.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0127   -0.5763   -0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2315   -1.7619   -0.5004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0830    2.6287    0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7629    3.7809    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7065    2.1459    1.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8723    2.7448   -1.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0272    2.0682   -0.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0023    1.8675    1.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9271    0.8832   -0.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8144    0.5339    1.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4636   -1.6014    0.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9332   -1.1573   -1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6029   -2.1576    1.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072   -3.0411    0.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233   -3.4154    0.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8119   -3.0213   -0.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8215   -3.2413   -0.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7256   -0.5878   -1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5651   -0.5996    0.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  6
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 17 18  1  0
 18 19  2  0
 18  2  1  0
 19  6  1  0
 11  7  1  0
 19 14  1  0
 22 16  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  8 27  1  0
  8 28  1  0
  9 29  1  0
  9 30  1  0
 10 31  1  0
 10 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 13 36  1  0
 15 37  1  0
 21 38  1  0
 21 39  1  0
M  END


  Mrv1652309022204332D          

 22 26  0  0  0  0            999 V2000
    4.6445    2.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4976    1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7056    2.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3203    1.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8534    2.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5163    1.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2931    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9530    1.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6278    0.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3850    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5601    0.0706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1163   -0.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2959   -0.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7166   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8913   -0.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2617    0.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4086    0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1851    1.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819    1.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0859    0.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4442    0.0265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
  6 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0147029

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(O)C(=O)C2=C3CCCN3CCC3=CC4=C(OCO4)C1=C23

> <INCHI_IDENTIFIER>
InChI=1S/C17H17NO4/c1-17(20)14-12-9(7-11-15(14)22-8-21-11)4-6-18-5-2-3-10(18)13(12)16(17)19/h7,20H,2-6,8H2,1H3

> <INCHI_KEY>
JIRBNIFNFVADKU-UHFFFAOYSA-N

> <FORMULA>
C17H17NO4

> <MOLECULAR_WEIGHT>
299.326

> <EXACT_MASS>
299.115758031

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
31.594377700583454

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0^{3,7}.0^{8,19}.0^{12,16}]nonadeca-1,3(7),8(19),11-tetraen-10-one

> <ALOGPS_LOGP>
1.13

> <JCHEM_LOGP>
1.4818478513333329

> <ALOGPS_LOGS>
-2.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.175756736596098

> <JCHEM_PKA_STRONGEST_BASIC>
0.29860610502665075

> <JCHEM_POLAR_SURFACE_AREA>
59.0

> <JCHEM_REFRACTIVITY>
81.40250000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.98e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0^{3,7}.0^{8,19}.0^{12,16}]nonadeca-1,3(7),8(19),11-tetraen-10-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       8.670   5.233   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.395   3.718   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       6.917   4.149   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       9.931   3.604   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      10.926   4.779   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      10.297   2.108   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.747   1.589   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.979   2.513   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.239   1.627   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.785   0.156   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      12.246   0.132   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      11.417  -1.166   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.886  -1.328   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.804  -0.232   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.264  -0.738   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.089   0.257   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.363   1.772   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.812   2.293   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.987   1.297   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.006   2.501   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.894   1.437   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       4.563   0.049   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4   18                                             
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   19                                                  
CONECT    7    6    8   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10    7   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   22                                                  
CONECT   17   16   18   20                                                  
CONECT   18   17    2   19                                                  
CONECT   19   18   14    6                                                  
CONECT   20   17   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   16                                                       
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

9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0^{3,7}.0^{8,19}.0^{12,16}]nonadeca-1,3(7),8(19),11-tetraen-10-one

Traditional Name

9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0^{3,7}.0^{8,19}.0^{12,16}]nonadeca-1,3(7),8(19),11-tetraen-10-one

CAS Registry Number

Not Available

SMILES

CC1(O)C(=O)C2=C3CCCN3CCC3=CC4=C(OCO4)C1=C23

InChI Identifier

InChI=1S/C17H17NO4/c1-17(20)14-12-9(7-11-15(14)22-8-21-11)4-6-18-5-2-3-10(18)13(12)16(17)19/h7,20H,2-6,8H2,1H3

InChI Key

JIRBNIFNFVADKU-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
Dianthus versicolor	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzazepines

Sub Class

Not Available

Direct Parent

Benzazepines

Alternative Parents

Substituents

Benzazepine
Indanone
Benzodioxole
Indane
Azepine
Aralkylamine
Acyloin
Benzenoid
N-alkylpyrrolidine
Pyrrolidine
Vinylogous amide
Tertiary alcohol
Ketone
Tertiary aliphatic amine
Tertiary amine
Enamine
Acetal
Azacycle
Oxacycle
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Amine
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	1.13	ALOGPS
logP	1.48	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	12.18	ChemAxon
pKa (Strongest Basic)	0.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	59 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	81.4 m³·mol⁻¹	ChemAxon
Polarizability	31.59 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

113218

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

127616

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhao CX, Liu H, Zhang X, Yang MY, Wang YT, Xing YJ, Hua JX, Zhang Q, Li DH, Bai J, Jing YK, Hua HM: Cephalotaxine-type and homoerythrina-type alkaloids with antiproliferative effects from Cephalotaxus fortunei. Org Biomol Chem. 2022 Sep 14;20(35):7076-7084. doi: 10.1039/d2ob01242a. [PubMed:36004441 ]
Zhang ZW, Li WD: A facile total synthesis of hainanensine via an unusual rearrangement--annulation cascade. Org Lett. 2010 Apr 16;12(8):1649-51. doi: 10.1021/ol1003324. [PubMed:20235558 ]
LOTUS database [Link]

Showing NP-Card for 9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one (NP0147029)

MOL for NP0147029 (9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one)

3D MOL for NP0147029 (9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one)

3D SDF for NP0147029 (9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one)

3D-SDF for NP0147029 (9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one)

PDB for NP0147029 (9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one)

3D PDB for NP0147029 (9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one)

SMILES for NP0147029 (9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one)

INCHI for NP0147029 (9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one)

Structure for NP0147029 (9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one)

3D Structure for NP0147029 (9-hydroxy-9-methyl-4,6-dioxa-16-azapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹²,¹⁶]nonadeca-1,3(7),8(19),11-tetraen-10-one)