NP-MRD: Showing NP-Card for (1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one (NP0221932)

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Record Information

Version

2.0

Created at

2022-09-05 23:37:55 UTC

Updated at

2022-09-05 23:37:55 UTC

NP-MRD ID

NP0221932

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one

Description

Dehydroxypaxilline belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Dehydroxypaxilline is a metabolite of Emericella striata. (1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one is found in Aspergillus striatus. Dehydroxypaxilline is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 01111302292D          

 33 38  0  0  0  0            999 V2000
   -6.9929  -12.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7073  -11.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7073  -11.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9929  -10.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2784  -11.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2784  -11.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5639  -10.6566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1350  -12.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4206  -11.8941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4206  -11.0691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8495  -11.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8495  -11.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061  -12.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061  -10.6566    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9917  -11.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917  -11.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061   -9.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917   -9.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2772   -9.8316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2772  -10.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627  -11.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627   -9.4191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517   -9.8316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1517  -10.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8662  -11.0691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8662   -9.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5807   -9.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8662   -8.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5807   -9.0066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4206  -12.7191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4206  -10.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061  -11.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2772   -9.0066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  9  8  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 13 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 14  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 21 20  2  0  0  0  0
 20 19  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 23 26  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  6  0  0  0
 10 31  1  1  0  0  0
 14 32  1  6  0  0  0
 19 33  1  1  0  0  0
M  END


  Mrv0541 01111302292D          

 33 38  0  0  0  0            999 V2000
   -6.9929  -12.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7073  -11.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7073  -11.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9929  -10.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2784  -11.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2784  -11.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5639  -10.6566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1350  -12.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4206  -11.8941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4206  -11.0691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8495  -11.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8495  -11.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061  -12.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061  -10.6566    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9917  -11.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917  -11.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061   -9.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917   -9.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2772   -9.8316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2772  -10.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627  -11.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627   -9.4191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517   -9.8316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1517  -10.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8662  -11.0691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8662   -9.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5807   -9.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8662   -8.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5807   -9.0066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4206  -12.7191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4206  -10.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7061  -11.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2772   -9.0066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  9  8  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 13 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 14  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 21 20  2  0  0  0  0
 20 19  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 23 26  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  6  0  0  0
 10 31  1  1  0  0  0
 14 32  1  6  0  0  0
 19 33  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0221932

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@H](C(=O)C=C3C1CC2)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3/t15-,19?,22-,24-,26-,27+/m0/s1

> <INCHI_KEY>
GYSZYWSJZCKCBD-WZNHOQSJSA-N

> <FORMULA>
C27H33NO3

> <MOLECULAR_WEIGHT>
419.5558

> <EXACT_MASS>
419.246043927

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
49.343420038452805

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2S,5S,7R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one

> <ALOGPS_LOGP>
5.62

> <JCHEM_LOGP>
4.626475565666666

> <ALOGPS_LOGS>
-5.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.849105645489402

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.130818406538971

> <JCHEM_PKA_STRONGEST_BASIC>
-3.17861276013896

> <JCHEM_POLAR_SURFACE_AREA>
62.32000000000001

> <JCHEM_REFRACTIVITY>
121.84239999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.32e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,5S,7R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-JAN-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-JAN-13         0                                  
HETATM    1  C   UNK     0     -13.053 -22.973   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -14.387 -22.203   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -14.387 -20.662   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -13.053 -19.892   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -11.720 -20.662   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -11.720 -22.203   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0     -10.386 -19.892   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -7.719 -22.972   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.385 -22.202   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.385 -20.662   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -9.052 -20.662   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -9.052 -22.202   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.051 -22.972   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.051 -19.892   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.718 -20.662   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.718 -22.202   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.051 -18.352   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.718 -17.582   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.384 -18.352   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.384 -19.892   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.050 -20.662   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.050 -17.582   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.283 -18.352   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.283 -19.892   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       1.617 -20.662   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       1.617 -17.582   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.951 -18.352   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.617 -16.042   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.951 -16.812   0.000  0.00  0.00           O+0
HETATM   30  H   UNK     0      -6.385 -23.742   0.000  0.00  0.00           H+0
HETATM   31  C   UNK     0      -6.385 -19.122   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -5.051 -21.432   0.000  0.00  0.00           C+0
HETATM   33  H   UNK     0      -2.384 -16.812   0.000  0.00  0.00           H+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    7    6                                                  
CONECT    6    1    5   12                                                  
CONECT    7    5   11                                                       
CONECT    8    9   12                                                       
CONECT    9    8   13   10   30                                             
CONECT   10   11    9   14   31                                             
CONECT   11    7   10   12                                                  
CONECT   12    6    8   11                                                  
CONECT   13    9   16                                                       
CONECT   14   10   15   17   32                                             
CONECT   15   16   20   14                                                  
CONECT   16   15   13                                                       
CONECT   17   14   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   22   33                                             
CONECT   20   15   21   19                                                  
CONECT   21   20   24                                                       
CONECT   22   19   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   21   25                                                  
CONECT   25   24                                                            
CONECT   26   23   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26                                                            
CONECT   30    9                                                            
CONECT   31   10                                                            
CONECT   32   14                                                            
CONECT   33   19                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₃NO₃

Average Mass

419.5558 Da

Monoisotopic Mass

419.24604 Da

IUPAC Name

(1S,2S,5S,7R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one

Traditional Name

(1S,2S,5S,7R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one

CAS Registry Number

Not Available

SMILES

[H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@H](C(=O)C=C3C1CC2)C(C)(C)O

InChI Identifier

InChI=1S/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3/t15-,19?,22-,24-,26-,27+/m0/s1

InChI Key

GYSZYWSJZCKCBD-WZNHOQSJSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Emericella striata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Not Available

Substituents

Not Available

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	5.62	ALOGPS
logP	4.63	ChemAxon
logS	-6	ALOGPS
pKa (Strongest Acidic)	14.13	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	62.32 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	121.84 m³·mol⁻¹	ChemAxon
Polarizability	49.34 Å³	ChemAxon
Number of Rings	6	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

HMDB0037531

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB016612

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

71019045

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one (NP0221932)

MOL for NP0221932 ((1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one)

3D MOL for NP0221932 ((1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one)

3D SDF for NP0221932 ((1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one)

3D-SDF for NP0221932 ((1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one)

PDB for NP0221932 ((1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one)

3D PDB for NP0221932 ((1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one)

SMILES for NP0221932 ((1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one)

INCHI for NP0221932 ((1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one)

Structure for NP0221932 ((1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one)

3D Structure for NP0221932 ((1s,2s,5s,7r,14s)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one)