24,25-Dihydrolanosterol

Details

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Internal ID e74aed37-d825-449f-ad6f-a950998cfff4
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILES (Canonical) CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C
SMILES (Isomeric) C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
InChI Key MBZYKEVPFYHDOH-BQNIITSRSA-N
Popularity 63 references in papers

Physical and Chemical Properties

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Molecular Formula C30H52O
Molecular Weight 428.70 g/mol
Exact Mass 428.401816278 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 9.40

Synonyms

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24,25-Dihydrolanosterol
Lanostenol
79-62-9
Dihydrolanosterin
5alpha-Lanost-8-en-3beta-ol
24-dihydrolanosterol
Lanosterol, dihydro-
Lanost-8-en-3-ol, (3.beta.)-
Lanost-8-en-3.beta.-ol
9H273A8B2X
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 24,25-Dihydrolanosterol

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
CHEMBL2581 P07339 Cathepsin D 96.08% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.02% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 94.40% 95.93%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.37% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 91.23% 90.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.58% 97.09%
CHEMBL2179 P04062 Beta-glucocerebrosidase 88.86% 85.31%
CHEMBL1907 P15144 Aminopeptidase N 87.85% 93.31%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.98% 100.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 84.62% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.13% 93.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.00% 94.45%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 82.70% 95.50%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 82.18% 98.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.75% 90.71%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 81.72% 82.69%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.30% 95.89%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.24% 97.25%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.67% 95.89%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 80.36% 100.00%

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.
Capsicum annuum
Euphorbia kansui
Euphorbia sapinii
Solanum melongena
Tillandsia recurvata

Cross-Links

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PubChem 440560
LOTUS LTS0252460
wikiData Q27103510