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Radianspene F

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 9f4803bc-4e7a-4418-827a-096bf8f7abad
Taxonomy Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals
IUPAC Name (1R,2S,3S,7R,8R,9R,12R,15S)-5,5,9,12-tetramethyl-8-propan-2-yl-4,6,18-trioxapentacyclo[10.6.1.02,9.03,7.016,19]nonadec-16(19)-en-15-ol
SMILES (Canonical) CC(C)C1C2C(C3C1(CCC4(CCC(C5=C4C3OC5)O)C)C)OC(O2)(C)C
SMILES (Isomeric) CC(C)[C@H]1[C@@H]2[C@H]([C@H]3[C@@]1(CC[C@@]4(CC[C@@H](C5=C4[C@@H]3OC5)O)C)C)OC(O2)(C)C
InChI InChI=1S/C23H36O4/c1-12(2)15-19-20(27-21(3,4)26-19)17-18-16-13(11-25-18)14(24)7-8-22(16,5)9-10-23(15,17)6/h12,14-15,17-20,24H,7-11H2,1-6H3/t14-,15-,17-,18-,19+,20-,22-,23+/m0/s1
InChI Key ZAFBDBZIQHIUHT-GFEDBVBQSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H36O4
Molecular Weight 376.50 g/mol
Exact Mass 376.26135963 g/mol
Topological Polar Surface Area (TPSA) 47.90 Ų
XlogP 3.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Radianspene F

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 95.68% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.97% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.05% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 91.90% 90.17%
CHEMBL226 P30542 Adenosine A1 receptor 90.29% 95.93%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.33% 94.45%
CHEMBL218 P21554 Cannabinoid CB1 receptor 89.11% 96.61%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.43% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.04% 97.09%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 83.04% 92.88%
CHEMBL2581 P07339 Cathepsin D 82.97% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 82.16% 91.49%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.76% 95.89%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.51% 97.14%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.39% 93.56%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.39% 100.00%
CHEMBL4072 P07858 Cathepsin B 80.51% 93.67%

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 59052609
LOTUS LTS0166002
wikiData Q77499836