NP-MRD: Showing NP-Card for Stigmast-4-en-3-one (NP0044982)

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Record Information

Version

2.0

Created at

2022-03-10 18:52:13 UTC

Updated at

2022-03-10 22:22:31 UTC

NP-MRD ID

NP0044982

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Stigmast-4-en-3-one

Description

Stigmast-4-en-3-one belongs to the class of organic compounds known as stigmastanes and derivatives. These are steroid-like molecules with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24 and a trans double bond in position C22. Stigmast-4-en-3-one is a naturally occurring phytosterol found in plants. Phytosterols consist of four fused rings as a core structure and an acyclic side chain. Phytosterols differ only in carbon side chains and/or presence or absence of a double bond. They play a similar role to cholesterol in stabilizing membrane lipids in plants. Phytosterols derive from the same biosynthetic precursor as the triterpenoids (2,3-oxidosqualene) and their biosynthesis also proceeds via the mevalonic acid pathway (MVA), mainly in the cytosol. In humans the intake of naturally occurring phytosterols ranges between ~200‚Äö√Ñ√¨300 mg/day depending on eating habits (PMID: 28702423 ). Phytosterols have cholesterol-lowering properties (reducing cholesterol absorption in intestines) and can reduce cholesterol in human subjects by up to 15% (PMID: 28702423 ). They may also have a role in cancer prevention and treatment (PMID: 26086253 ). Stigmast-4-en-3-one is one of several phytosterols found in cannabis plants (PMID: 6991645 ).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309272007382D          

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M  END

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M  END


  Mrv1652309272007382D          

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 16  5  1  1  0  0  0
  9  3  2  0  0  0  0
 13 12  1  0  0  0  0
 12  2  1  1  0  0  0
 11 14  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  6  0  0  0
 24 25  1  0  0  0  0
 24 33  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 31 32  1  0  0  0  0
 23 19  1  0  0  0  0
 23 22  1  0  0  0  0
 20  6  1  6  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 19  1  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0044982

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1

> <INCHI_KEY>
RUVUHIUYGJBLGI-XJZKHKOHSA-N

> <FORMULA>
C29H48O

> <MOLECULAR_WEIGHT>
412.702

> <EXACT_MASS>
412.370516166

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
53.53079280611388

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
6.95

> <JCHEM_LOGP>
8.411722740000002

> <ALOGPS_LOGS>
-7.40

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.087826253912493

> <JCHEM_PKA_STRONGEST_BASIC>
-4.817440235063846

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
128.71469999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.63e-05 g/l

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

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8666.6228667.865   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8662.6318665.538   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8658.6328661.672   0.000  0.00  0.00           O+0
HETATM    4  H   UNK     0    8663.9618663.232   0.000  0.00  0.00           H+0
HETATM    5  H   UNK     0    8665.2928665.538   0.000  0.00  0.00           H+0
HETATM    6  H   UNK     0    8666.6228663.232   0.000  0.00  0.00           H+0
HETATM    7  C   UNK     0    8661.2988664.760   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8659.9648663.990   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8659.9648662.450   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8661.2988661.680   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8662.6328662.450   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8662.6328663.990   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8663.9618664.762   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8663.9618661.682   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8665.2958662.452   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8665.2958663.992   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8665.2928667.089   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8663.9588666.319   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8666.6268666.319   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8666.6268664.779   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8668.0908664.303   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8668.9958665.549   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8668.0908666.795   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8668.0908668.335   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8669.4268669.105   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8670.7588668.335   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8672.0948669.105   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8673.4308668.335   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8674.7628669.105   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8673.4308666.795   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8672.0948670.645   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0    8673.4308671.415   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0    8666.7588669.105   0.000  0.00  0.00           C+0
HETATM   34  H   UNK     0    8669.4268667.565   0.000  0.00  0.00           H+0
CONECT    1   19                                                            
CONECT    2   12                                                            
CONECT    3    9                                                            
CONECT    4   13                                                            
CONECT    5   16                                                            
CONECT    6   20                                                            
CONECT    7    8   12                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10    3                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12    7   11   13    2                                             
CONECT   13   16   18    4   12                                             
CONECT   14   15   11                                                       
CONECT   15   14   16                                                       
CONECT   16   13   15    5   20                                             
CONECT   17   18   19                                                       
CONECT   18   17   13                                                       
CONECT   19   20   23   17    1                                             
CONECT   20   19   21    6   16                                             
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   24   34   19   22                                             
CONECT   24   23   25   33                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   31                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   27   32                                                       
CONECT   32   31                                                            
CONECT   33   24                                                            
CONECT   34   23                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Value	Source
Stigmast-4-en-3-one	PhytoBank
(24R)-24-Ethylcholest-4-en-3-one	PhytoBank
(24R)-Stigmast-4-en-3-one	PhytoBank
4-En-3-stigmastone	PhytoBank
Sitostenone	PhytoBank
delta4-Sitosterol-3-one	PhytoBank
Δ4-Sitosterol-3-one	PhytoBank
delta4-Stigmasten-3-one	PhytoBank
Δ4-Stigmasten-3-one	PhytoBank
beta-Rosasterol oxide	PhytoBank
β-Rosasterol oxide	PhytoBank
beta-Sitost-4-en-3-one	PhytoBank
β-Sitost-4-en-3-one	PhytoBank
beta-Sitostenone	PhytoBank

Chemical Formula

C₂₉H₄₈O

Average Mass

412.7020 Da

Monoisotopic Mass

412.37052 Da

IUPAC Name

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

Traditional Name

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

CAS Registry Number

67392-96-5

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C

InChI Identifier

InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1

InChI Key

RUVUHIUYGJBLGI-XJZKHKOHSA-N

Experimental Spectra

Not Available

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
Aesculus hippocastanum	LOTUS Database	35616633
Ailanthus altissima	LOTUS Database	35616633
Annona montana	LOTUS Database	35616633
Aralia bipinnata	LOTUS Database	35616633
Aristolochia mollissima	Plant	KNApSAcK
Aristolochia zollingeriana	LOTUS Database	35616633
Arum italicum	LOTUS Database	35616633
Begonia nantoensis	Plant	KNApSAcK
Beilschmiedia tsangii	LOTUS Database	35616633
Betula pendula	LOTUS Database	35616633
Blainvillea acmella	LOTUS Database	35616633
Boronella koniambiensis	Plant	KNApSAcK
Brucea javanica	LOTUS Database	35616633
Callicarpa pilosissima	Plant	KNApSAcK
Cannabis sativa	NULL	Not Available
Casearia membranacea	Plant	KNApSAcK
Cecropia pachystachya	LOTUS Database	35616633
Chamaecyparis formosensis	Plant	KNApSAcK
Chamaecyparis obtusa	LOTUS Database	35616633
Chorisia insignis	-	KNApSAcK
Chorisia speciosa	-	KNApSAcK
Cinnamomum tenuifolium	Plant	KNApSAcK
Cipadessa boivinina	Plant	KNApSAcK
Cleome amblyocarpa	LOTUS Database	35616633
Conium maculatum	LOTUS Database	35616633
Corymbia citriodora	LOTUS Database	35616633
Croton lechleri	LOTUS Database	35616633
Croton lechleri Mull.Arg.	Plant	KNApSAcK
Crotone hieronymi	-	KNApSAcK
Cymodocea nodosa	LOTUS Database	35616633
Dendrobium loddigesii	LOTUS Database	35616633
Dictamnus albus	LOTUS Database	35616633
Dictamnus angustifolius	Plant	KNApSAcK
Didymochlaena truncatula	Plant	KNApSAcK
Diospyros eriantha	Plant	KNApSAcK
Diospyros maritima	LOTUS Database	35616633
Diospyros rhodocalyx	Plant	KNApSAcK
Duhaldea cappa	Plant	KNApSAcK
Eleutherococcus senticosus	LOTUS Database	35616633
Engelhardia roxburghiana	Plant	KNApSAcK
Etlingera elatior	Plant	KNApSAcK
Euonymus alatus	Plant	KNApSAcK
Friesodielsia velutina	LOTUS Database	35616633
Garcinia multiflora	Plant	KNApSAcK
Harrisonia abyssinica	LOTUS Database	35616633
Hibiscus cannabinus	LOTUS Database	35616633
Juniperus brevifolia	LOTUS Database	35616633
Laggera alata	LOTUS Database	35616633
Larix kaempferi	LOTUS Database	35616633
Larix kaempferi (Lamb.) Carr	Plant	KNApSAcK
Lessertia frutescens	LOTUS Database	35616633
Ligularia dentata	LOTUS Database	35616633
Ligularia dentata Hara	Plant	KNApSAcK
Limonium wrightii	LOTUS Database	35616633
Machilus zuihoensis	Plant	KNApSAcK
Magnolia biondii	LOTUS Database	35616633
Magnolia kachirachirai	LOTUS Database	35616633
Mallotus repandus	LOTUS Database	35616633
Maytenus guianensis	Plant	KNApSAcK
Meiogyne virgata	LOTUS Database	35616633
Melia azedarach	LOTUS Database	35616633
Microtropis fokienensis	Plant	KNApSAcK
Microtropis japonica	Plant	KNApSAcK
Morinda citrifolia	LOTUS Database	35616633
Muntingia calabura	LOTUS Database	35616633
Murraya koenigii	LOTUS Database	35616633
Myriactis humilis	LOTUS Database	35616633
Nelumbo nucifera	LOTUS Database	35616633
Neolitsea aciculata	LOTUS Database	35616633
Nothapodytes nimmoniana	LOTUS Database	35616633
Oreocnide frutescens	LOTUS Database	35616633
Pellia epiphylla	Plant	KNApSAcK
Phallusia nigra	LOTUS Database	35616633
Phoenix dactylifera	LOTUS Database	35616633
Photinia lucida	LOTUS Database	35616633
Phyllanthus oxyphyllus	LOTUS Database	35616633
Picea obovata	LOTUS Database	35616633
Pinus koraiensis	Plant	KNApSAcK
Pinus radiata	LOTUS Database	35616633
Pinus sibirica	Plant	KNApSAcK
Plenckia populnea	LOTUS Database	35616633
Pogostemon cablin	LOTUS Database	35616633
Portulaca oleracea	LOTUS Database	35616633
Prunus africana	LOTUS Database	35616633
Pseudotsuga wilsoniana	Plant	KNApSAcK
Quassia amara	Plant	KNApSAcK
Rhinacanthus nasutus	LOTUS Database	35616633
Robinsonia thurifera	LOTUS Database	35616633
Salvia amplexicaulis	LOTUS Database	35616633
Salvia amplexicaulis Lam.	Plant	KNApSAcK
Salvia bucharica	Plant	KNApSAcK
Salvia multicaulis	Plant	KNApSAcK
Salvia nemorosa	LOTUS Database	35616633
Salvia staminea	Plant	KNApSAcK
Sargentodoxa cuneata	LOTUS Database	35616633
Saussurea superba	LOTUS Database	35616633
Sphaerophysa salsula	LOTUS Database	35616633
Stelletta clarella	LOTUS Database	35616633
Taiwanofungus camphoratus	Fungi	KNApSAcK
Taxus mairei	Plant	KNApSAcK
Trichilia estipulata	Plant	KNApSAcK
Typha latifolia	LOTUS Database	35616633
Urtica dioica	LOTUS Database	35616633
Viscum coloratum	Plant	KNApSAcK
Xanthium strumarium	LOTUS Database	35616633
Xylocarpus moluccensis	LOTUS Database	35616633
Xylopia vielana	LOTUS Database	35616633
Zea mays	LOTUS Database	35616633
Zea mays L.	Plant	KNApSAcK
Zingiber zerumbet	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Stigmastanes and derivatives

Direct Parent

Stigmastanes and derivatives

Alternative Parents

Substituents

Triterpenoid
Stigmastane-skeleton
Oxosteroid
3-oxosteroid
3-oxo-delta-4-steroid
Delta-4-steroid
Cyclohexenone
Cyclic ketone
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

steroid (CHEBI:68105 )

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	6.95	ALOGPS
logP	8.41	ChemAxon
logS	-7.4	ALOGPS
pKa (Strongest Acidic)	19.09	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	17.07 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	128.71 m³·mol⁻¹	ChemAxon
Polarizability	53.53 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	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

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

5484202

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Stigmast-4-en-3-one (NP0044982)

MOL for NP0044982 (Stigmast-4-en-3-one)

3D MOL for NP0044982 (Stigmast-4-en-3-one)

3D SDF for NP0044982 (Stigmast-4-en-3-one)

3D-SDF for NP0044982 (Stigmast-4-en-3-one)

PDB for NP0044982 (Stigmast-4-en-3-one)

3D PDB for NP0044982 (Stigmast-4-en-3-one)

SMILES for NP0044982 (Stigmast-4-en-3-one)

INCHI for NP0044982 (Stigmast-4-en-3-one)

Structure for NP0044982 (Stigmast-4-en-3-one)

3D Structure for NP0044982 (Stigmast-4-en-3-one)