NP-MRD: Showing NP-Card for Lamellosterol C (NP0044625)

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Record Information

Version

2.0

Created at

2022-02-24 21:09:36 UTC

Updated at

2022-02-24 21:09:36 UTC

NP-MRD ID

NP0044625

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lamellosterol C

Description

Lamellosterol c belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Thus, lamellosterol c is considered to be a steroid conjugate. Based on a literature review very few articles have been published on Lamellosterol c.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652302242222092D          

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M  END

     RDKit          3D

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M  END


  Mrv1652302242222092D          

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    2.3100   -4.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4185   -1.9676    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7294   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3987   -2.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9051   -1.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7223   -1.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0332   -2.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2287   -0.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9178   -0.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0459   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5523   -0.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3695   -0.4650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1868   -0.5778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4824    0.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2567   -1.2822    0.0000 O   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
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
  5 25  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  1  6  0  0  0
  2 27  1  6  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  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 39  2  0  0  0  0
 37 40  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0044625

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@]3([H])C[C@@H](O)[C@@]21O)[C@H](C)\C=C\C(C)C(C)COS(O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H48O7S/c1-17(19(3)16-35-36(32,33)34)6-7-18(2)22-8-9-23-27(22,5)13-11-24-26(4)12-10-21(29)14-20(26)15-25(30)28(23,24)31/h6-7,17-25,29-31H,8-16H2,1-5H3,(H,32,33,34)/b7-6+/t17?,18-,19?,20-,21-,22-,23-,24-,25-,26+,27-,28-/m1/s1

> <INCHI_KEY>
WBNUFLZYIPASAS-YGXGWDJCSA-N

> <FORMULA>
C28H48O7S

> <MOLECULAR_WEIGHT>
528.75

> <EXACT_MASS>
528.31207506

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
59.093874340362824

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(4E,6R)-2,3-dimethyl-6-[(1R,2S,5R,7R,9R,10S,11R,14R,15R)-5,9,10-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]hept-4-en-1-yl]oxy}sulfonic acid

> <ALOGPS_LOGP>
1.27

> <JCHEM_LOGP>
2.549590294697057

> <ALOGPS_LOGS>
-4.83

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.326500240598534

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.6604257041671948

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0583523666702574

> <JCHEM_POLAR_SURFACE_AREA>
124.28999999999999

> <JCHEM_REFRACTIVITY>
140.16479999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.89e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(4E,6R)-2,3-dimethyl-6-[(1R,2S,5R,7R,9R,10S,11R,14R,15R)-5,9,10-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]hept-4-en-1-yl]oxysulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-22         0                                  
HETATM    1  H   UNK     0       0.214  -5.179   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       1.726  -4.889   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.298  -6.368   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.573  -7.232   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.789  -6.287   0.000  0.00  0.00           C+0
HETATM    6  H   UNK     0       4.782  -5.110   0.000  0.00  0.00           H+0
HETATM    7  C   UNK     0       3.266  -4.839   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.594  -3.453   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.258  -3.661   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.774  -3.932   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.297  -5.381   0.000  0.00  0.00           C+0
HETATM   12  H   UNK     0       6.821  -6.829   0.000  0.00  0.00           H+0
HETATM   13  C   UNK     0       7.813  -5.652   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.290  -4.203   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.806  -4.474   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.322  -4.746   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.845  -6.194   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      12.361  -6.465   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       9.853  -7.371   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.337  -7.100   0.000  0.00  0.00           C+0
HETATM   21  H   UNK     0       8.860  -8.549   0.000  0.00  0.00           H+0
HETATM   22  C   UNK     0       7.344  -8.277   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.828  -8.006   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.835  -9.184   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       5.305  -6.558   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       4.312  -7.735   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       0.781  -3.673   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.362  -2.246   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.744  -3.883   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.690  -2.668   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.215  -2.878   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -3.795  -4.305   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.160  -1.662   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -3.580  -0.236   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.686  -1.873   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -6.631  -0.657   0.000  0.00  0.00           O+0
HETATM   37  S   UNK     0      -8.156  -0.868   0.000  0.00  0.00           S+0
HETATM   38  O   UNK     0      -9.682  -1.079   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -8.367   0.658   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -7.946  -2.393   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7   27                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7   25                                             
CONECT    6    5                                                            
CONECT    7    5    2    8    9                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13   25                                             
CONECT   12   11                                                            
CONECT   13   11   14   15   20                                             
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   13   21   22                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23    5   11   26                                             
CONECT   26   25                                                            
CONECT   27    2   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39   40                                             
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   37                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₈O₇S

Average Mass

528.7500 Da

Monoisotopic Mass

528.31208 Da

IUPAC Name

{[(4E,6R)-2,3-dimethyl-6-[(1R,2S,5R,7R,9R,10S,11R,14R,15R)-5,9,10-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]hept-4-en-1-yl]oxy}sulfonic acid

Traditional Name

[(4E,6R)-2,3-dimethyl-6-[(1R,2S,5R,7R,9R,10S,11R,14R,15R)-5,9,10-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]hept-4-en-1-yl]oxysulfonic acid

CAS Registry Number

Not Available

SMILES

[H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@]3([H])C[C@@H](O)[C@@]21O)[C@H](C)\C=C\C(C)C(C)COS(O)(=O)=O

InChI Identifier

InChI=1S/C28H48O7S/c1-17(19(3)16-35-36(32,33)34)6-7-18(2)22-8-9-23-27(22,5)13-11-24-26(4)12-10-21(29)14-20(26)15-25(30)28(23,24)31/h6-7,17-25,29-31H,8-16H2,1-5H3,(H,32,33,34)/b7-6+/t17?,18-,19?,20-,21-,22-,23-,24-,25-,26+,27-,28-/m1/s1

InChI Key

WBNUFLZYIPASAS-YGXGWDJCSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Lamellodysidea chlorea	Linington's dataset npmrd_submissions_20220207	33269586

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Ergostane steroids

Direct Parent

Ergosterols and derivatives

Alternative Parents

Substituents

Ergosterol-skeleton
7-hydroxysteroid
3-alpha-hydroxysteroid
Hydroxysteroid
3-hydroxysteroid
Sulfuric acid ester
Alkyl sulfate
Sulfate-ester
Sulfuric acid monoester
Tertiary alcohol
Organic sulfuric acid or derivatives
Cyclic alcohol
Secondary alcohol
Polyol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	1.27	ALOGPS
logP	2.55	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	-1.7	ChemAxon
pKa (Strongest Basic)	-1.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	124.29 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	140.16 m³·mol⁻¹	ChemAxon
Polarizability	59.09 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

113385587

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

Showing NP-Card for Lamellosterol C (NP0044625)

MOL for NP0044625 (Lamellosterol C)

3D MOL for NP0044625 (Lamellosterol C)

3D SDF for NP0044625 (Lamellosterol C)

3D-SDF for NP0044625 (Lamellosterol C)

PDB for NP0044625 (Lamellosterol C)

3D PDB for NP0044625 (Lamellosterol C)

SMILES for NP0044625 (Lamellosterol C)

INCHI for NP0044625 (Lamellosterol C)

Structure for NP0044625 (Lamellosterol C)

3D Structure for NP0044625 (Lamellosterol C)