NP-MRD: Showing NP-Card for (1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate (NP0326317)

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Record Information

Version

2.0

Created at

2022-09-12 07:45:56 UTC

Updated at

2022-09-12 07:45:56 UTC

NP-MRD ID

NP0326317

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate

Description

(1S,3S,5R,6Z,10R,11S,15S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]Pentadeca-6,12-dien-10-yl butanoate belongs to the class of organic compounds known as briarane diterpenoids. These are marine diterpenoids with a structure based on the briarane (3,8-cyclocembrane) skeleton. (1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate is found in Briareum asbestinum. Based on a literature review very few articles have been published on (1S,3S,5R,6Z,10R,11S,15S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]Pentadeca-6,12-dien-10-yl butanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122209452D          

 32 34  0  0  1  0            999 V2000
    2.8579   -1.6500    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
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2881    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9862   -0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0724   -1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8112   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2237   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0487   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0387   -0.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3941   -1.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
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 15 16  1  1  0  0  0
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 16 18  1  0  0  0  0
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 30 31  1  0  0  0  0
 24 31  1  0  0  0  0
  7 31  1  0  0  0  0
 31 32  1  1  0  0  0
M  END

     RDKit          3D

 66 68  0  0  0  0  0  0  0  0999 V2000
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   -4.4110    0.7744   -0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3769    2.0167    0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701    2.0959    1.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7483    4.3636    0.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3234   -0.0529   -2.4870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686   -1.8227   -1.4570 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1024   -2.3369   -2.8729 C   0  0  2  0  0  0  0  0  0  0  0  0
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 31  7  1  0
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M  END


  Mrv1652309122209452D          

 32 34  0  0  1  0            999 V2000
    2.8579   -1.6500    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
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.8112   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0387   -0.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  6  1  6  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 24 31  1  0  0  0  0
  7 31  1  0  0  0  0
 31 32  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0326317

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC(=O)O[C@@H]1CC\C(C)=C/[C@H]2O[C@]2([C@@H](C)C(=O)OC)C(=O)[C@H]2[C@H](C)C(=O)C=C[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C25H34O7/c1-7-8-20(27)31-18-10-9-14(2)13-19-25(32-19,16(4)23(29)30-6)22(28)21-15(3)17(26)11-12-24(18,21)5/h11-13,15-16,18-19,21H,7-10H2,1-6H3/b14-13-/t15-,16+,18-,19-,21-,24-,25+/m1/s1

> <INCHI_KEY>
RCDSFTUSHMUUCY-GGBGNHJBSA-N

> <FORMULA>
C25H34O7

> <MOLECULAR_WEIGHT>
446.54

> <EXACT_MASS>
446.230453435

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
48.64482405190675

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,3S,5R,6Z,10R,11S,15S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0^{3,5}]pentadeca-6,12-dien-10-yl butanoate

> <JCHEM_LOGP>
4.271859174666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.389395794662498

> <JCHEM_PKA_STRONGEST_BASIC>
-4.266749937454498

> <JCHEM_POLAR_SURFACE_AREA>
99.26999999999998

> <JCHEM_REFRACTIVITY>
118.53399999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3S,5R,6Z,10R,11S,15S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0^{3,5}]pentadeca-6,12-dien-10-yl butanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      13.337  -0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.337   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.670   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.004   1.540   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      17.338   0.770   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      16.004  -0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.774  -1.334   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      16.935  -2.865   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.314  -1.334   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      19.084  -0.000   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      19.084  -2.667   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      20.624  -2.667   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.670  -0.770   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      13.139  -0.931   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      14.670  -2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      17.536  -3.241   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      17.338  -5.390   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.003  -3.850   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   31                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13   15                                                       
CONECT   15   14   13   16   22                                             
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20                                                            
CONECT   22   15   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   31                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   24    7   32                                             
CONECT   32   31                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   68    0
END

View in JSmol

Synonyms

Value	Source
(1S,3S,5R,6Z,10R,11S,15S)-3-[(2R)-1-Methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0,]pentadeca-6,12-dien-10-yl butanoic acid	Generator

Chemical Formula

C₂₅H₃₄O₇

Average Mass

446.5400 Da

Monoisotopic Mass

446.23045 Da

IUPAC Name

(1S,3S,5R,6Z,10R,11S,15S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0^{3,5}]pentadeca-6,12-dien-10-yl butanoate

Traditional Name

(1S,3S,5R,6Z,10R,11S,15S)-3-[(2R)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0^{3,5}]pentadeca-6,12-dien-10-yl butanoate

CAS Registry Number

Not Available

SMILES

CCCC(=O)O[C@@H]1CC\C(C)=C/[C@H]2O[C@]2([C@@H](C)C(=O)OC)C(=O)[C@H]2[C@H](C)C(=O)C=C[C@]12C

InChI Identifier

InChI=1S/C25H34O7/c1-7-8-20(27)31-18-10-9-14(2)13-19-25(32-19,16(4)23(29)30-6)22(28)21-15(3)17(26)11-12-24(18,21)5/h11-13,15-16,18-19,21H,7-10H2,1-6H3/b14-13-/t15-,16+,18-,19-,21-,24-,25+/m1/s1

InChI Key

RCDSFTUSHMUUCY-GGBGNHJBSA-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
Briareum asbestinum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as briarane diterpenoids. These are marine diterpenoids with a structure based on the briarane (3,8-cyclocembrane) skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Briarane diterpenoids

Alternative Parents

Substituents

Briarane diterpenoid
Fatty acid ester
Cyclohexenone
Dicarboxylic acid or derivatives
Fatty acyl
Methyl ester
Cyclic ketone
Ketone
Carboxylic acid ester
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Oxacycle
Carbonyl group
Organic oxide
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
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
logP	4.27	ChemAxon
pKa (Strongest Acidic)	16.39	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	99.27 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	118.53 m³·mol⁻¹	ChemAxon
Polarizability	48.64 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

29216815

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10503539

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate (NP0326317)

MOL for NP0326317 ((1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate)

3D MOL for NP0326317 ((1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate)

3D SDF for NP0326317 ((1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate)

3D-SDF for NP0326317 ((1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate)

PDB for NP0326317 ((1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate)

3D PDB for NP0326317 ((1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate)

SMILES for NP0326317 ((1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate)

INCHI for NP0326317 ((1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate)

Structure for NP0326317 ((1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate)

3D Structure for NP0326317 ((1s,3s,5r,6z,10r,11s,15s)-3-[(2r)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2,14-dioxo-4-oxatricyclo[9.4.0.0³,⁵]pentadeca-6,12-dien-10-yl butanoate)