radulifolin B

Details

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Internal ID ea858883-d882-4c95-9883-9d90e4758822
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
IUPAC Name (3S,5S)-3-hydroxy-9-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-one
SMILES (Canonical) CC1CCCC2=C(C3=C(C(=C12)C)C(C(=O)O3)(C)O)OC
SMILES (Isomeric) C[C@H]1CCCC2=C(C3=C(C(=C12)C)[C@](C(=O)O3)(C)O)OC
InChI InChI=1S/C16H20O4/c1-8-6-5-7-10-11(8)9(2)12-14(13(10)19-4)20-15(17)16(12,3)18/h8,18H,5-7H2,1-4H3/t8-,16-/m0/s1
InChI Key FCMSAPXDFYCBGJ-PWJLMRLQSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H20O4
Molecular Weight 276.33 g/mol
Exact Mass 276.13615911 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 3.00

Synonyms

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CHEMBL476890

2D Structure

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2D Structure of radulifolin B

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.44% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.57% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.68% 99.23%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.88% 92.94%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.04% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.18% 94.45%
CHEMBL1871 P10275 Androgen Receptor 86.31% 96.43%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 85.80% 96.77%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.56% 97.25%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.24% 94.00%
CHEMBL2581 P07339 Cathepsin D 84.60% 98.95%
CHEMBL2083 P15090 Fatty acid binding protein adipocyte 83.54% 95.71%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.32% 86.33%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.97% 97.14%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.39% 91.07%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.37% 93.03%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.16% 89.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.98% 100.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.64% 92.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.11% 95.89%

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.
Psacalium radulifolium

Cross-Links

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PubChem 10660084
LOTUS LTS0076408
wikiData Q104993225