NP-MRD: Showing NP-Card for (1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one (NP0241463)

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Record Information

Version

2.0

Created at

2022-09-07 01:33:01 UTC

Updated at

2022-09-07 01:33:01 UTC

NP-MRD ID

NP0241463

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one

Description

Dendrobine belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. (1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one is found in Dendrobium nobile. (1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one was first documented in 2022 (PMID: 36058301). Based on a literature review a small amount of articles have been published on Dendrobine (PMID: 35979500) (PMID: 35636177) (PMID: 35619309) (PMID: 35599884).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
    3.4630    1.1172    0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366    0.1066   -0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1763    0.3405   -1.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2472    0.1709   -0.2066 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7834   -0.0766    1.1923 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2150   -1.4406    1.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0663   -2.0905    0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155   -3.3177   -0.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7058   -1.0965   -0.8901 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7931   -1.0623   -0.9638 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3514    0.0080   -1.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8338   -0.0134   -1.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7184   -0.1375    0.0670 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4852    1.2221    0.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3330    1.1655    1.4362 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5772    2.3284    1.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6944   -0.0830    1.3575 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4423   -0.8970    0.3508 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8046   -2.2866    0.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6126    0.7082    1.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4880    1.2100    0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0188    2.1102    0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1492   -0.8852   -0.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0143   -0.5812   -2.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7254    1.2362   -2.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2978    0.4481   -1.7256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8177    1.0231   -0.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308    0.5646    1.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687   -1.2757   -1.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0997   -2.0466   -1.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3202   -0.2494   -2.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9988    1.0184   -1.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078    0.9613   -1.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3615   -0.8730   -1.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5816   -0.6434    0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3502    1.5670    1.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3784    2.0096   -0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1114    2.7474    0.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1459    2.2232    2.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2779    3.1552    1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8790   -0.6001    2.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6160   -3.0622    0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1192   -2.4520    1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8430   -2.2709    1.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  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  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  1
  9  4  1  0
 18 10  1  0
 17  5  1  0
 18 13  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  6
  5 28  1  1
  9 29  1  6
 10 30  1  6
 11 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  1
 14 36  1  0
 14 37  1  0
 16 38  1  0
 16 39  1  0
 16 40  1  0
 17 41  1  1
 19 42  1  0
 19 43  1  0
 19 44  1  0
M  END


  Mrv1652309072203332D          

 19 22  0  0  1  0            999 V2000
    0.4769    1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    1.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6634    2.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101    1.4614    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7955    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6461    0.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191   -0.0349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9613    1.5089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2684    2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3954    2.3295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9046    3.0088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3649    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0873    2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0017    1.9703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4565    1.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1014    0.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9035    0.9037    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7812    1.7231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4741    1.2147    0.0000 C   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
  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0241463

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@@H]1C2OC(=O)C1[C@@H]1CC[C@@H]3CN(C)[C@H]2[C@]13C

> <INCHI_IDENTIFIER>
InChI=1S/C16H25NO2/c1-8(2)11-12-10-6-5-9-7-17(4)14(16(9,10)3)13(11)19-15(12)18/h8-14H,5-7H2,1-4H3/t9-,10+,11+,12?,13?,14-,16+/m1/s1

> <INCHI_KEY>
RYAHJFGVOCZDEI-FDKRIPFWSA-N

> <FORMULA>
C16H25NO2

> <MOLECULAR_WEIGHT>
263.381

> <EXACT_MASS>
263.188529049

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
29.330876478472526

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,4S,7S,12R,13S)-2,12-dimethyl-13-(propan-2-yl)-10-oxa-2-azatetracyclo[5.4.1.1^{8,11}.0^{4,12}]tridecan-9-one

> <JCHEM_LOGP>
2.356019429333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.61656379995612

> <JCHEM_POLAR_SURFACE_AREA>
29.54

> <JCHEM_REFRACTIVITY>
73.0888

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4S,7S,12R,13S)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1^{8,11}.0^{4,12}]tridecan-9-one

> <JCHEM_VEBER_RULE>
1

$$$$

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  C   UNK     0       0.890   2.175   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.306   3.340   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.238   4.677   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.752   2.728   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.352   1.364   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.939   1.291   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       5.822  -0.065   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       5.528   2.817   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.234   3.894   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.605   4.348   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       1.689   5.616   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       2.548   7.012   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.163   5.241   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.003   3.678   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.852   2.346   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.189   1.166   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.687   1.687   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.458   3.216   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.752   2.267   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    9                                                  
CONECT    5    4    6   17                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8    4   10                                                  
CONECT   10    9   11   18                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16    5   18                                                  
CONECT   18   17   14   10   19                                             
CONECT   19   18                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   44    0
END

View in JSmol

Synonyms

Value	Source
Dendrobine hydrochloride	MeSH

Chemical Formula

C₁₆H₂₅NO₂

Average Mass

263.3810 Da

Monoisotopic Mass

263.18853 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)[C@@H]1C2OC(=O)C1[C@@H]1CC[C@@H]3CN(C)[C@H]2[C@]13C

InChI Identifier

InChI=1S/C16H25NO2/c1-8(2)11-12-10-6-5-9-7-17(4)14(16(9,10)3)13(11)19-15(12)18/h8-14H,5-7H2,1-4H3/t9-,10+,11+,12?,13?,14-,16+/m1/s1

InChI Key

RYAHJFGVOCZDEI-FDKRIPFWSA-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
Dendrobium nobile	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Not Available

Direct Parent

Indoles and derivatives

Alternative Parents

Substituents

Indole or derivatives
Caprolactone
Oxepane
N-alkylpyrrolidine
Gamma butyrolactone
Tetrahydrofuran
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Lactone
Carboxylic acid ester
Amino acid or derivatives
Oxacycle
Azacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00001970

Chemspider ID

58780904

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Dendrobine

METLIN ID

Not Available

PubChem Compound

145945119

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yue Q, Chen X, Gao J, Gong Q, Shi J, Li F: Dendrobine protects HACAT cells from H2O2-induced oxidative stress and apoptosis damage via Nrf2/Keap1/ARE signaling pathway. Toxicol Appl Pharmacol. 2022 Sep 1;454:116217. doi: 10.1016/j.taap.2022.116217. [PubMed:36058301 ]
Jia Q, Wang L, Qian X, Jin H, Shu F, Sarsaiya S, Jin L, Chen J: Transcriptome Analysis of Dendrobine Biosynthesis in Trichoderma longibrachiatum MD33. Front Microbiol. 2022 Aug 1;13:890733. doi: 10.3389/fmicb.2022.890733. eCollection 2022. [PubMed:35979500 ]
Li QM, Li X, Su SQ, Wang YT, Xu T, Zha XQ, Pan LH, Shang ZZ, Zhang FY, Luo JP: Dendrobine inhibits dopaminergic neuron apoptosis via MANF-mediated ER stress suppression in MPTP/MPP(+)-induced Parkinson's disease models. Phytomedicine. 2022 Jul 20;102:154193. doi: 10.1016/j.phymed.2022.154193. Epub 2022 May 22. [PubMed:35636177 ]
Luo Y, Liu G, Hou P: Synergism effect of dendrobine on cisplatin in treatment of H1299 by modulating the balance of Treg/Th17. Anticancer Agents Med Chem. 2022 May 20. pii: ACAMC-EPUB-123796. doi: 10.2174/1871520622666220520093837. [PubMed:35619309 ]
Song C, Ma J, Li G, Pan H, Zhu Y, Jin Q, Cai Y, Han B: Natural Composition and Biosynthetic Pathways of Alkaloids in Medicinal Dendrobium Species. Front Plant Sci. 2022 May 6;13:850949. doi: 10.3389/fpls.2022.850949. eCollection 2022. [PubMed:35599884 ]
LOTUS database [Link]

Showing NP-Card for (1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one (NP0241463)

MOL for NP0241463 ((1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one)

3D MOL for NP0241463 ((1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one)

3D SDF for NP0241463 ((1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one)

3D-SDF for NP0241463 ((1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one)

PDB for NP0241463 ((1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one)

3D PDB for NP0241463 ((1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one)

SMILES for NP0241463 ((1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one)

INCHI for NP0241463 ((1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one)

Structure for NP0241463 ((1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one)

3D Structure for NP0241463 ((1s,4s,7s,12r,13s)-13-isopropyl-2,12-dimethyl-10-oxa-2-azatetracyclo[5.4.1.1⁸,¹¹.0⁴,¹²]tridecan-9-one)