Lanosta-8-en-7,11-dioxo-3beta-acetyloxy-24,25,26-trihydroxy

Details

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Internal ID 4b539951-99f3-4112-8629-79265ffb0e53
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name [(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-7,11-dioxo-17-[(2R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C32H50O7/c1-18(9-10-24(37)32(8,38)17-33)20-11-14-30(6)27-21(35)15-23-28(3,4)25(39-19(2)34)12-13-29(23,5)26(27)22(36)16-31(20,30)7/h18,20,23-25,33,37-38H,9-17H2,1-8H3/t18-,20-,23+,24?,25+,29+,30+,31-,32?/m1/s1
InChI Key DVZLNLQHYICGFH-ZMPJFOOASA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C32H50O7
Molecular Weight 546.70 g/mol
Exact Mass 546.35565393 g/mol
Topological Polar Surface Area (TPSA) 121.00 Ų
XlogP 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Lanosta-8-en-7,11-dioxo-3beta-acetyloxy-24,25,26-trihydroxy

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 98.21% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.78% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.11% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.00% 91.11%
CHEMBL2996 Q05655 Protein kinase C delta 96.76% 97.79%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.12% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.45% 85.14%
CHEMBL299 P17252 Protein kinase C alpha 89.10% 98.03%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 88.23% 82.69%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 87.59% 93.04%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 87.49% 91.24%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 87.14% 100.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 86.41% 97.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.23% 89.00%
CHEMBL340 P08684 Cytochrome P450 3A4 84.75% 91.19%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.44% 97.09%
CHEMBL2413 P32246 C-C chemokine receptor type 1 83.77% 89.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.45% 95.56%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 82.68% 94.78%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.95% 100.00%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 81.43% 96.90%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.22% 100.00%
CHEMBL1293316 Q9HBX9 Relaxin receptor 1 80.87% 82.50%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.78% 96.47%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.71% 92.62%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 80.53% 96.77%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 80.41% 93.03%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.25% 93.56%

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 139583317
LOTUS LTS0078789
wikiData Q75059008