7-Dehydrodesmosterol

Details

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Internal ID 8b4afca1-9c82-4059-b951-c448796b2e53
Taxonomy Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives
IUPAC Name (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChI Key RUSSPKPUXDSHNC-DDPQNLDTSA-N
Popularity 41 references in papers

Physical and Chemical Properties

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Molecular Formula C27H42O
Molecular Weight 382.60 g/mol
Exact Mass 382.323565959 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 7.50

Synonyms

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24-Dehydroprovitamin D3
1715-86-2
7-Dehydro Desmosterol
Cholesta-5,7,24-trien-3beta-ol
7-Dehydro-desmosterol
7,8-Didehydrodesmosterol
cholest-5,7,24-trien-3beta-ol
Cholesta-5,7,24-triene-3beta-ol
(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Cholesta-5,7,24-trien-3-ol, (3beta)-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 7-Dehydrodesmosterol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.83% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 94.74% 95.93%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.49% 94.45%
CHEMBL2581 P07339 Cathepsin D 93.55% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.36% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.47% 97.25%
CHEMBL1994 P08235 Mineralocorticoid receptor 89.93% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.75% 95.89%
CHEMBL1977 P11473 Vitamin D receptor 86.50% 99.43%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.03% 97.09%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.69% 93.56%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 83.87% 82.69%
CHEMBL221 P23219 Cyclooxygenase-1 83.27% 90.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.18% 90.71%
CHEMBL1937 Q92769 Histone deacetylase 2 82.56% 94.75%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.51% 100.00%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.14% 95.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 440558
LOTUS LTS0183105
wikiData Q2818195