NP-MRD: Showing NP-Card for Astracondensatol A (NP0333489)

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Record Information

Version

2.0

Created at

2024-06-24 22:45:13 UTC

Updated at

2024-10-29 00:35:06 UTC

NP-MRD ID

NP0333489

Natural Product DOI

https://doi.org/10.57994/2943

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Astracondensatol A

Description

Based on a literature review very few articles have been published on Astracondensatol A.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03092301202D          

 38 43  0  0  1  0            999 V2000
   -0.1953   -1.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6168   -0.9702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8971   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411   -0.6798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0532   -0.5346    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3335    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1456    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6774   -0.2441    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0373    0.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5020   -0.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3122   -0.4264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7313   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0484   -1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3971   -1.0201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5850   -1.1653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8653   -0.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3047   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926   -2.0864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9608   -1.4557    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6805   -2.2316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1486   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654   -2.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   -2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123   -2.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995   -1.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5072   -1.3437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0083    0.3804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2614    1.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0679    1.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6214    0.7273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3684   -0.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1856   -0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5618   -0.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3992   -0.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4280    0.9008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2790    0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5214    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  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
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 19 25  1  6  0  0  0
 15 26  1  6  0  0  0
 13 27  2  0  0  0  0
 11 28  1  1  0  0  0
 28 29  1  1  0  0  0
 29 30  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 28 34  1  0  0  0  0
 32 35  1  0  0  0  0
 31 36  1  1  0  0  0
 28 37  1  6  0  0  0
  6 38  1  1  0  0  0
  5 38  1  1  0  0  0
M  END


  Mrv2104 03092301202D          

 38 43  0  0  1  0            999 V2000
   -0.1953   -1.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6168   -0.9702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8971   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411   -0.6798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0532   -0.5346    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3335    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1456    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6774   -0.2441    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0373    0.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5020   -0.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3122   -0.4264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7313   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0484   -1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3971   -1.0201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5850   -1.1653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8653   -0.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3047   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926   -2.0864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9608   -1.4557    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6805   -2.2316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1486   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654   -2.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   -2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123   -2.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995   -1.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5072   -1.3437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0083    0.3804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2614    1.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0679    1.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6214    0.7273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3684   -0.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1856   -0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5618   -0.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3992   -0.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4280    0.9008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2790    0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5214    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  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
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 19 25  1  6  0  0  0
 15 26  1  6  0  0  0
 13 27  2  0  0  0  0
 11 28  1  1  0  0  0
 28 29  1  1  0  0  0
 29 30  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 28 34  1  0  0  0  0
 32 35  1  0  0  0  0
 31 36  1  1  0  0  0
 28 37  1  6  0  0  0
  6 38  1  1  0  0  0
  5 38  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0333489

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(C(=O)C[C@@]2(C)[C@]3([H])C[C@H](O)[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)[C@@]1(C)CC[C@@H](O)C(C)(C)O1

> <INCHI_IDENTIFIER>
InChI=1S/C30H48O5/c1-24(2)20(33)9-11-30-16-29(30)13-12-26(5)23(28(7)10-8-21(34)25(3,4)35-28)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17,19-23,31,33-34H,8-16H2,1-7H3/t17-,19-,20-,21+,22-,23-,26+,27-,28+,29-,30+/m0/s1

> <INCHI_KEY>
ONVNRNYDGRPBFN-YWENIVNJSA-N

> <FORMULA>
C30H48O5

> <MOLECULAR_WEIGHT>
488.709

> <EXACT_MASS>
488.350174646

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
56.48351965828405

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,3R,6S,8R,9S,11S,12S,15S,16R)-6,9-dihydroxy-15-[(2R,5R)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-14-one

> <JCHEM_LOGP>
3.099658305666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.581935482471527

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.882738774966162

> <JCHEM_PKA_STRONGEST_BASIC>
-2.842352442249794

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
134.7356

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,6S,8R,9S,11S,12S,15S,16R)-6,9-dihydroxy-15-[(2R,5R)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-14-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-MAR-23         0                                  
HETATM    1  O   UNK     0      -0.365  -2.082   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.151  -1.811   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.675  -0.363   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.191  -0.092   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.183  -1.269   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.699  -0.998   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.222   0.451   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.738   0.722   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.731  -0.456   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.403   0.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.270  -0.506   0.000  0.00  0.00           C+0
HETATM   12  H   UNK     0      11.783  -0.796   0.000  0.00  0.00           H+0
HETATM   13  C   UNK     0      10.698  -1.985   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.424  -2.849   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.208  -1.904   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.692  -2.175   0.000  0.00  0.00           C+0
HETATM   17  H   UNK     0       7.215  -0.727   0.000  0.00  0.00           H+0
HETATM   18  C   UNK     0       6.169  -3.624   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.653  -3.895   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.660  -2.717   0.000  0.00  0.00           C+0
HETATM   21  H   UNK     0       3.137  -4.166   0.000  0.00  0.00           H+0
HETATM   22  C   UNK     0       2.144  -2.988   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.362  -4.513   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.002  -4.022   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.130  -5.343   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       7.839  -3.399   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      12.147  -2.508   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      11.216   0.710   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.688   2.176   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      13.193   2.500   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.227   1.358   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.754  -0.108   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      15.280  -0.319   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      12.249  -0.432   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      13.812  -1.647   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      15.732   1.681   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       9.854   1.430   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.707   0.179   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   20   38                                             
CONECT    6    5    7   16   38                                             
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11   15                                             
CONECT   10    9                                                            
CONECT   11    9   12   13   28                                             
CONECT   12   11                                                            
CONECT   13   11   14   27                                                  
CONECT   14   13   15                                                       
CONECT   15   14    9   16   26                                             
CONECT   16   15    6   17   18                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   25                                                  
CONECT   20   19    5   21   22                                             
CONECT   21   20                                                            
CONECT   22   20    2   23   24                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   19                                                            
CONECT   26   15                                                            
CONECT   27   13                                                            
CONECT   28   11   29   34   37                                             
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   33   34   35                                             
CONECT   33   32                                                            
CONECT   34   32   28                                                       
CONECT   35   32                                                            
CONECT   36   31                                                            
CONECT   37   28                                                            
CONECT   38    6    5                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₈O₅

Average Mass

488.7090 Da

Monoisotopic Mass

488.35017 Da

IUPAC Name

(1S,3R,6S,8R,9S,11S,12S,15S,16R)-6,9-dihydroxy-15-[(2R,5R)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-14-one

Traditional Name

(1S,3R,6S,8R,9S,11S,12S,15S,16R)-6,9-dihydroxy-15-[(2R,5R)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-14-one

CAS Registry Number

Not Available

SMILES

[H][C@@]1(C(=O)C[C@@]2(C)[C@]3([H])C[C@H](O)[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)[C@@]1(C)CC[C@@H](O)C(C)(C)O1

InChI Identifier

InChI=1S/C30H48O5/c1-24(2)20(33)9-11-30-16-29(30)13-12-26(5)23(28(7)10-8-21(34)25(3,4)35-28)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17,19-23,31,33-34H,8-16H2,1-7H3/t17-,19-,20-,21+,22-,23-,26+,27-,28+,29-,30+/m0/s1

InChI Key

ONVNRNYDGRPBFN-YWENIVNJSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)	faydogan@olemiss.edu	University of Mississippi	Sophie Fadime Aydogan	2024-06-24	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)	faydogan@olemiss.edu	University of Mississippi	Sophie Fadime Aydogan	2024-06-24	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)	faydogan@olemiss.edu	University of Mississippi	Sophie Fadime Aydogan	2024-06-24	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)	faydogan@olemiss.edu	University of Mississippi	Sophie Fadime Aydogan	2024-06-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)	faydogan@olemiss.edu	University of Mississippi	Sophie Fadime Aydogan	2024-06-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, C5D5N, experimental)	faydogan@olemiss.edu	University of Mississippi	Sophie Fadime Aydogan	2024-06-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)	faydogan@olemiss.edu	University of Mississippi	Sophie Fadime Aydogan	2024-06-24	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 499.782337089, C₅D₅N, simulated)	faydogan@olemiss.edu	University of Mississippi	Sophie Fadime Aydogan	2024-06-24	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
condensatus		Not Available

Chemical Taxonomy

Classification

Not classified

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	3.1	ChemAxon
pKa (Strongest Acidic)	13.88	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	86.99 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	134.74 m³·mol⁻¹	ChemAxon
Polarizability	56.48 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Astracondensatol A (NP0333489)

MOL for NP0333489 (Astracondensatol A)

3D MOL for NP0333489 (Astracondensatol A)

3D SDF for NP0333489 (Astracondensatol A)

3D-SDF for NP0333489 (Astracondensatol A)

PDB for NP0333489 (Astracondensatol A)

3D PDB for NP0333489 (Astracondensatol A)

SMILES for NP0333489 (Astracondensatol A)

INCHI for NP0333489 (Astracondensatol A)

Structure for NP0333489 (Astracondensatol A)

3D Structure for NP0333489 (Astracondensatol A)