Np mrd loader

Showing NP-Card for Lansioside C (NP0336025)

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Record Information
Version2.0
Created at2024-09-11 04:23:22 UTC
Updated at2024-09-11 04:23:23 UTC
NP-MRD IDNP0336025
Secondary Accession NumbersNone
Natural Product Identification
Common NameLansioside C
Description Lansioside C was first documented in 2019 (PMID: 30392392). Based on a literature review very few articles have been published on Lansioside C.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0336025 (Lansioside C)


  Mrv2104 05262306552D          

 42 45  0  0  0  0            999 V2000
   -1.7625   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0487   -2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3362   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3362   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0487   -0.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775   -2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0900   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0900   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775   -0.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888   -0.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3155    0.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4613   -3.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6361   -3.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4777   -2.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3362   -0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9152   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999   -0.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096   -0.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096    0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636   -0.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096    1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999    1.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096    2.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6302    3.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999    3.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6302    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3386    0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6302    1.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1929   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1929   -1.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082   -0.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6234   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6234   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082   -2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082   -3.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3386   -2.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3386   -0.6980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  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
  9 19  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 17 34  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 31  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 34 35  1  0  0  0  0
 34 39  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 42  1  0  0  0  0
 38 39  1  0  0  0  0
 38 41  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
Download

3D MOL for NP0336025 (Lansioside C)

Download
3D SDF for NP0336025 (Lansioside C)

  Mrv2104 05262306552D          

 42 45  0  0  0  0            999 V2000
   -1.7625   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0487   -2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3362   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3362   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0487   -0.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775   -2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0900   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0900   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775   -0.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888   -0.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3155    0.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4613   -3.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6361   -3.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4777   -2.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3362   -0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9152   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999   -0.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096   -0.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096    0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636   -0.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096    1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999    1.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096    2.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6302    3.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999    3.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6302    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3386    0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6302    1.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1929   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1929   -1.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082   -0.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6234   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6234   -1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082   -2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082   -3.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3386   -2.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3386   -0.6980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  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
  9 19  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 17 34  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 31  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 34 35  1  0  0  0  0
 34 39  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 42  1  0  0  0  0
 38 39  1  0  0  0  0
 38 41  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0336025

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(CCC23C)OC2OCC(O)C(O)C2O)C1(C)CCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1/C35H56O7/c1-20(2)23-11-9-21(3)24(34(23,7)18-16-29(37)38)12-13-25-22(4)10-14-27-33(5,6)28(15-17-35(25,27)8)42-32-31(40)30(39)26(36)19-41-32/h9,23-28,30-32,36,39-40H,1,4,10-19H2,2-3,5-8H3,(H,37,38)

> <INCHI_KEY>
ILGQYZQREAJTIJ-UHFFFAOYNA-N

> <FORMULA>
C35H56O7

> <MOLECULAR_WEIGHT>
588.826

> <EXACT_MASS>
588.402604143

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
98

> <JCHEM_AVERAGE_POLARIZABILITY>
67.87643547055045

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[2-(2-{5,5,8a-trimethyl-2-methylidene-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-decahydronaphthalen-1-yl}ethyl)-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acid

> <JCHEM_LOGP>
5.608123183999999

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.246264980990997

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.616788699647063

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526580623666827

> <JCHEM_POLAR_SURFACE_AREA>
116.45000000000002

> <JCHEM_REFRACTIVITY>
163.56060000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-[2-(2-{5,5,8a-trimethyl-2-methylidene-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexahydro-1H-naphthalen-1-yl}ethyl)-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0336025 (Lansioside C)
Download
PDB for NP0336025 (Lansioside C)
HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      -3.290  -2.071   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.290  -3.611   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.958  -4.381   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.628  -3.611   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.628  -2.071   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.958  -1.303   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.705  -4.381   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.035  -3.611   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.035  -2.071   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.705  -1.303   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.646  -0.995   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.646   0.538   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.456   1.164   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.705   0.230   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.728  -5.716   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.187  -5.716   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.625  -4.381   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.628  -0.530   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.575  -2.071   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.973  -1.760   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.298  -0.995   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.298   0.538   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.973   1.300   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.105  -0.995   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.298   2.071   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.973   2.841   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.298   3.611   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.298   5.151   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       8.643   5.922   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       5.973   5.922   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.643   1.300   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.965   0.538   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.643   2.841   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.960  -3.611   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -5.960  -2.071   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -7.295  -1.303   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -8.630  -2.071   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -8.630  -3.611   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -7.295  -4.381   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -7.295  -5.922   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -9.965  -4.381   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -9.965  -1.303   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   17                                                  
CONECT    3    2    4   15   16                                             
CONECT    4    3    5    7                                                  
CONECT    5    4    6   10   18                                             
CONECT    6    1    5                                                       
CONECT    7    4    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   19                                                  
CONECT   10    5    9   14                                                  
CONECT   11   12   20   24                                                  
CONECT   12   11   13   23                                                  
CONECT   13   12   14                                                       
CONECT   14   10   13                                                       
CONECT   15    3                                                            
CONECT   16    3                                                            
CONECT   17    2   34                                                       
CONECT   18    5                                                            
CONECT   19    9                                                            
CONECT   20   11   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   31                                                  
CONECT   23   12   22   25   26                                             
CONECT   24   11                                                            
CONECT   25   23                                                            
CONECT   26   23   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   22   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   17   35   39                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   42                                                  
CONECT   38   37   39   41                                                  
CONECT   39   34   38   40                                                  
CONECT   40   39                                                            
CONECT   41   38                                                            
CONECT   42   37                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   90    0
END

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3D PDB for NP0336025 (Lansioside C)
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SMILES for NP0336025 (Lansioside C)
CC(=C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(CCC23C)OC2OCC(O)C(O)C2O)C1(C)CCC(O)=O
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INCHI for NP0336025 (Lansioside C)
InChI=1/C35H56O7/c1-20(2)23-11-9-21(3)24(34(23,7)18-16-29(37)38)12-13-25-22(4)10-14-27-33(5,6)28(15-17-35(25,27)8)42-32-31(40)30(39)26(36)19-41-32/h9,23-28,30-32,36,39-40H,1,4,10-19H2,2-3,5-8H3,(H,37,38)
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SynonymsNot Available
Chemical FormulaC35H56O7
Average Mass588.8260 Da
Monoisotopic Mass588.40260 Da
IUPAC Name3-[2-(2-{5,5,8a-trimethyl-2-methylidene-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-decahydronaphthalen-1-yl}ethyl)-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acid
Traditional Name3-[2-(2-{5,5,8a-trimethyl-2-methylidene-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexahydro-1H-naphthalen-1-yl}ethyl)-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acid
CAS Registry NumberNot Available
SMILES
CC(=C)C1CC=C(C)C(CCC2C(=C)CCC3C(C)(C)C(CCC23C)OC2OCC(O)C(O)C2O)C1(C)CCC(O)=O
InChI Identifier
InChI=1/C35H56O7/c1-20(2)23-11-9-21(3)24(34(23,7)18-16-29(37)38)12-13-25-22(4)10-14-27-33(5,6)28(15-17-35(25,27)8)42-32-31(40)30(39)26(36)19-41-32/h9,23-28,30-32,36,39-40H,1,4,10-19H2,2-3,5-8H3,(H,37,38)
InChI KeyILGQYZQREAJTIJ-UHFFFAOYNA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP5.61ChemAxon
pKa (Strongest Acidic)4.62ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area116.45 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity163.56 m³·mol⁻¹ChemAxon
Polarizability67.88 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Ramadhan R, Worawalai W, Phuwapraisirisan P: New onoceranoid xyloside from Lansium parasiticum. Nat Prod Res. 2019 Oct;33(20):2917-2924. doi: 10.1080/14786419.2018.1510395. Epub  2018 Nov 5. [PubMed:30392392  ]