NP-MRD: Showing NP-Card for 22,23-dihydrobrassicasterol (NP0281797)

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Record Information

Version

2.0

Created at

2022-09-09 08:22:01 UTC

Updated at

2022-09-09 08:22:01 UTC

NP-MRD ID

NP0281797

Secondary Accession Numbers

None

Natural Product Identification

Common Name

22,23-dihydrobrassicasterol

Description

24-Epicampesterol 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, 24-epicampesterol is considered to be a sterol lipid molecule. 22,23-dihydrobrassicasterol is found in Acanthaster planci, Ajuga reptans, Alitta succinea, Amsonia elliptica, Anthelia glauca, Arabidopsis thaliana, Aureococcus anophagefferens, Aureoumbra lagunensis, Axinella aruensis, Axinella cannabina, Baccharoides anthelmintica, Carthamus tinctorius, Cedrela odorata, Coix lacryma-jobi, Conium maculatum, Coriaria intermedia, Cucumis melo, Cucurbita maxima, Cystoseira barbata, Cyttaria johowii, Dalbergia monetaria, Diplopterygium glaucum, Euphorbia fischeriana, Eutreptia viridis, Hydrodictyon reticulatum, Kalanchoe marmorata, Khaya senegalensis, Larix sibirica, Ligularia amplexicaulis, Lobophytum crassum, Nervilia plicata, Phaseolus vulgaris, Physalis peruviana, Polypodium formosanum, Posidonia oceanica, Pyrocystis lunula, Sambucus chinensis, Sarcophyton glaucum, Sinapis alba, Sinularia brassica, Sorghum bicolor, Tanacetum parthenium, Triticum aestivum, Ulva clathrata and Zea mays. 24-Epicampesterol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

  Mrv1652305132018342D          

 33 36  0  0  0  0            999 V2000
10000.5692 9995.1712    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.5692 9994.3462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.3538 9994.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.8387 9994.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.5654 9993.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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10003.4988 9996.6616    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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10000.6403 9996.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10001.3538 9996.2512    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.3538 9995.4262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 17  8  1  1  0  0  0
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 19  1  1  0  0  0  0
  1 10  1  1  0  0  0
 22  2  1  0  0  0  0
  2  5  1  6  0  0  0
M  END

     RDKit          3D

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M  END

  Mrv1652305132018342D          

 33 36  0  0  0  0            999 V2000
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 21 11  1  0  0  0  0
 14 22  1  0  0  0  0
 17  8  1  1  0  0  0
 11  9  1  1  0  0  0
 21  6  1  6  0  0  0
 22  7  1  1  0  0  0
 27 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  6  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  6  0  0  0
 32 31  1  0  0  0  0
 33 23  1  6  0  0  0
 33 32  1  0  0  0  0
 33  1  1  0  0  0  0
 33  4  1  0  0  0  0
 19  1  1  0  0  0  0
  1 10  1  1  0  0  0
 22  2  1  0  0  0  0
  2  5  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0281797

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](C)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1

> <INCHI_KEY>
SGNBVLSWZMBQTH-ZRUUVFCLSA-N

> <FORMULA>
C28H48O

> <MOLECULAR_WEIGHT>
400.6801

> <EXACT_MASS>
400.370516158

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
52.41074371708444

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5S)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

> <ALOGPS_LOGP>
6.81

> <JCHEM_LOGP>
7.399908127000002

> <ALOGPS_LOGS>
-7.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.20428950550382

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3972437702926293

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
125.16509999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.19e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5S)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 13-MAY-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-MAY-20         0                                  
HETATM    1  C   UNK     0    8667.7298657.653   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8667.7298656.113   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8669.1948655.637   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8670.0998656.883   0.000  0.00  0.00           C+0
HETATM    5  H   UNK     0    8667.7228654.569   0.000  0.00  0.00           H+0
HETATM    6  H   UNK     0    8665.0648654.569   0.000  0.00  0.00           H+0
HETATM    7  H   UNK     0    8666.3938656.872   0.000  0.00  0.00           H+0
HETATM    8  O   UNK     0    8659.7408653.010   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0    8663.7358656.872   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8667.7228659.196   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8663.7328655.326   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8663.7328653.786   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8665.0658653.016   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8666.3998653.786   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8662.4028656.095   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8661.0698655.326   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8661.0698653.786   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8662.4028653.016   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8666.3968658.423   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8665.0628657.653   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8665.0628656.113   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8666.3968655.343   0.000  0.00  0.00           C+0
HETATM   23  H   UNK     0    8670.5308658.895   0.000  0.00  0.00           H+0
HETATM   24  C   UNK     0    8674.5348658.129   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8675.8668660.435   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8673.1988661.975   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8674.5348659.669   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8673.1988660.435   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8671.8628659.669   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8667.8628660.435   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8670.5308660.435   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0    8669.1948659.669   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0    8669.1948658.129   0.000  0.00  0.00           C+0
CONECT    1    2   33   19   10                                             
CONECT    2    1    3   22    5                                             
CONECT    3    2    4                                                       
CONECT    4    3   33                                                       
CONECT    5    2                                                            
CONECT    6   21                                                            
CONECT    7   22                                                            
CONECT    8   17                                                            
CONECT    9   11                                                            
CONECT   10    1                                                            
CONECT   11   12   15   21    9                                             
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   22                                                       
CONECT   15   16   11                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18    8                                                  
CONECT   18   17   12                                                       
CONECT   19   20    1                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   11    6                                             
CONECT   22   21   14    7    2                                             
CONECT   23   33                                                            
CONECT   24   27                                                            
CONECT   25   27                                                            
CONECT   26   28                                                            
CONECT   27   24   25   28                                                  
CONECT   28   26   27   29                                                  
CONECT   29   28   31                                                       
CONECT   30   32                                                            
CONECT   31   29   32                                                       
CONECT   32   30   31   33                                                  
CONECT   33   23   32    1    4                                             
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

View in JSmol

Synonyms

Value	Source
(3beta)-Ergost-5-en-3-ol	ChEBI
22,23-Dihydrobrassicasterol	ChEBI
(3b)-Ergost-5-en-3-ol	Generator
(3Β)-ergost-5-en-3-ol	Generator
(24R)-5-Ergosten-3-beta-ol	HMDB
(24R)-5-Ergosten-3b-ol	HMDB
(24R)-Ergost-5-en-3-beta-ol	HMDB
(24R)-Ergost-5-en-3b-ol	HMDB
(24R)-Methylcholest-5-en-3b-ol	HMDB
(24S)-beta-Methyl cholesterol	HMDB
(3-beta)-Ergost-5-en-3-ol	HMDB
(3-beta-24R)-Ergost-5-en-3-ol	HMDB
(3b,24R)-Ergost-5-en-3-ol	HMDB
24-alpha-Methylcholesterol	HMDB
24-Methyl-5-cholestene-3-ol	HMDB
24-Methylcholest-5-en-3beta-ol	HMDB
24a-Methyl-5-cholesten-3b-ol	HMDB
24a-Methylcholesterol	HMDB
Campesterin	HMDB
Campestrol	HMDB
Ergost-5-en-3-beta-ol	HMDB
Ergost-5-en-3-ol	HMDB
Ergost-5-en-3 beta- ol, 24 epimer	MeSH
24-Methylcholesterol	MeSH
Campesterol, (3beta,24xi)-isomer	MeSH
24 alpha-Methylcholest-5-en-3 beta-ol	MeSH
Campesterol, (3beta)-isomer	MeSH
Campesterol	MeSH
(24S)-Methylcholest-5-en-3beta-ol	HMDB
(24S)-Methylcholest-5-en-3β-ol	HMDB
24-Epicampesterol	HMDB
24-Methyl-5-cholestene-3beta-ol	HMDB
24-Methyl-5-cholestene-3β-ol	HMDB
24S-Methylcholesterol	HMDB
24beta-Methylcholesterol	HMDB
24β-Methylcholesterol	HMDB
Dihydrobrassicasterol	HMDB
Ergost-5-en-3beta-ol	HMDB
Ergost-5-en-3β-ol	HMDB
delta22-Dihydrobrassicasterol	HMDB
delta5-Campesterol	HMDB
delta5-Ergostenol	HMDB
Δ22-Dihydrobrassicasterol	HMDB
Δ5-Campesterol	HMDB
Δ5-Ergostenol	HMDB

Chemical Formula

C₂₈H₄₈O

Average Mass

400.6801 Da

Monoisotopic Mass

400.37052 Da

IUPAC Name

(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5S)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

Traditional Name

(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5S)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

CAS Registry Number

Not Available

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](C)C(C)C

InChI Identifier

InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1

InChI Key

SGNBVLSWZMBQTH-ZRUUVFCLSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, CDCl₃, experimental)	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, 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
Acanthaster planci	LOTUS Database	35616633
Ajuga reptans	LOTUS Database	35616633
Alitta succinea	LOTUS Database	35616633
Amsonia elliptica	LOTUS Database	35616633
Anthelia glauca	LOTUS Database	35616633
Arabidopsis thaliana	LOTUS Database	35616633
Aureococcus anophagefferens	LOTUS Database	35616633
Aureoumbra lagunensis	LOTUS Database	35616633
Axinella aruensis	LOTUS Database	35616633
Axinella cannabina	LOTUS Database	35616633
Baccharoides anthelmintica	LOTUS Database	35616633
Carthamus tinctorius	LOTUS Database	35616633
Cedrela odorata	LOTUS Database	35616633
Coix lacryma-jobi	LOTUS Database	35616633
Conium maculatum	LOTUS Database	35616633
Coriaria intermedia	LOTUS Database	35616633
Cucumis melo	LOTUS Database	35616633
Cucurbita maxima	LOTUS Database	35616633
Cystoseira barbata	LOTUS Database	35616633
Cyttaria johowii	LOTUS Database	35616633
Dalbergia monetaria	LOTUS Database	35616633
Diplopterygium glaucum	LOTUS Database	35616633
Euphorbia fischeriana	LOTUS Database	35616633
Eutreptia viridis	LOTUS Database	35616633
Hydrodictyon reticulatum	LOTUS Database	35616633
Kalanchoe marmorata	LOTUS Database	35616633
Khaya senegalensis	LOTUS Database	35616633
Larix sibirica	LOTUS Database	35616633
Ligularia amplexicaulis	LOTUS Database	35616633
Lobophytum crassum	LOTUS Database	35616633
Nervilia plicata	LOTUS Database	35616633
Phaseolus vulgaris	LOTUS Database	35616633
Physalis peruviana	LOTUS Database	35616633
Polypodium formosanum	LOTUS Database	35616633
Posidonia oceanica	LOTUS Database	35616633
Pyrocystis lunula	LOTUS Database	35616633
Sambucus chinensis	LOTUS Database	35616633
Sarcophyton glaucum	LOTUS Database	35616633
Sinapis alba	LOTUS Database	35616633
Sinularia brassica	LOTUS Database	35616633
Sorghum bicolor	LOTUS Database	35616633
Tanacetum parthenium	LOTUS Database	35616633
Triticum aestivum	LOTUS Database	35616633
Ulva clathrata	LOTUS Database	35616633
Zea mays	LOTUS Database	35616633

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
3-beta-hydroxysteroid
3-beta-hydroxy-delta-5-steroid
Hydroxysteroid
3-hydroxysteroid
3-hydroxy-delta-5-steroid
Delta-5-steroid
Cyclic alcohol
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

3beta-sterol (CHEBI:19809 )
ergostanoid (CHEBI:19809 )
phytosterols (CHEBI:19809 )
Ergosterols and C24-methyl derivatives (LMST01030096 )

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	6.81	ALOGPS
logP	7.4	ChemAxon
logS	-7.3	ALOGPS
pKa (Strongest Acidic)	18.2	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	125.17 m³·mol⁻¹	ChemAxon
Polarizability	52.41 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0034224

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB012531

KNApSAcK ID

Not Available

Chemspider ID

4446730

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5283637

PDB ID

Not Available

ChEBI ID

19809

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 22,23-dihydrobrassicasterol (NP0281797)

MOL for NP0281797 (22,23-dihydrobrassicasterol)

3D MOL for NP0281797 (22,23-dihydrobrassicasterol)

3D SDF for NP0281797 (22,23-dihydrobrassicasterol)

3D-SDF for NP0281797 (22,23-dihydrobrassicasterol)

PDB for NP0281797 (22,23-dihydrobrassicasterol)

3D PDB for NP0281797 (22,23-dihydrobrassicasterol)

SMILES for NP0281797 (22,23-dihydrobrassicasterol)

INCHI for NP0281797 (22,23-dihydrobrassicasterol)

Structure for NP0281797 (22,23-dihydrobrassicasterol)

3D Structure for NP0281797 (22,23-dihydrobrassicasterol)