24,24-Dimethyl-5alpha-lanosta-9(11),25-diene-3beta-ol

Details

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Internal ID 1fc3b496-bece-432d-bdf1-0b0dddf73a6e
Taxonomy Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives
IUPAC Name 4,4,10,13,14-pentamethyl-17-(5,5,6-trimethylhept-6-en-2-yl)-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILES (Canonical) CC(CCC(C)(C)C(=C)C)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C
SMILES (Isomeric) CC(CCC(C)(C)C(=C)C)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C
InChI InChI=1S/C32H54O/c1-21(2)28(4,5)17-13-22(3)23-14-19-32(10)25-11-12-26-29(6,7)27(33)16-18-30(26,8)24(25)15-20-31(23,32)9/h15,22-23,25-27,33H,1,11-14,16-20H2,2-10H3
InChI Key QGFZRJUQPWGMGR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C32H54O
Molecular Weight 454.80 g/mol
Exact Mass 454.417466342 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 10.40

Synonyms

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24,24-Dimethyl-5alpha-lanosta-9(11),25-diene-3beta-ol

2D Structure

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2D Structure of 24,24-Dimethyl-5alpha-lanosta-9(11),25-diene-3beta-ol

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.80% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.41% 96.09%
CHEMBL2581 P07339 Cathepsin D 96.62% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.21% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 93.25% 97.09%
CHEMBL2996 Q05655 Protein kinase C delta 92.31% 97.79%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.42% 95.89%
CHEMBL325 Q13547 Histone deacetylase 1 87.64% 95.92%
CHEMBL221 P23219 Cyclooxygenase-1 87.25% 90.17%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.46% 100.00%
CHEMBL2179 P04062 Beta-glucocerebrosidase 84.01% 85.31%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 83.91% 91.03%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 83.49% 93.00%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.82% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.38% 94.45%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.06% 95.89%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.65% 93.56%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Glycosmis pentaphylla
Neolitsea aciculata
Neolitsea pulchella
Pandanus boninensis

Cross-Links

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PubChem 162952562
LOTUS LTS0056546
wikiData Q104195787