Radianspene I

Details

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Internal ID 0b21c792-a550-48c7-a7ee-368ab94a2229
Taxonomy Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
IUPAC Name [(1R,2S,3S,4R,5R,6R,9R,12S)-4,12-dihydroxy-6,9-dimethyl-14-oxo-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-en-3-yl] acetate
SMILES (Canonical) CC(C)C1C(C(C2C1(CCC3(CCC(C4=C3C2OC4=O)O)C)C)OC(=O)C)O
SMILES (Isomeric) CC(C)[C@H]1[C@H]([C@H]([C@H]2[C@@]1(CC[C@@]3(CC[C@@H](C4=C3[C@@H]2OC4=O)O)C)C)OC(=O)C)O
InChI InChI=1S/C22H32O6/c1-10(2)14-17(25)19(27-11(3)23)16-18-15-13(20(26)28-18)12(24)6-7-21(15,4)8-9-22(14,16)5/h10,12,14,16-19,24-25H,6-9H2,1-5H3/t12-,14-,16-,17+,18-,19-,21-,22+/m0/s1
InChI Key DJPDLYKJBRHWGX-TUSZRUIDSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C22H32O6
Molecular Weight 392.50 g/mol
Exact Mass 392.21988874 g/mol
Topological Polar Surface Area (TPSA) 93.10 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Radianspene I

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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.76% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.64% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.16% 96.09%
CHEMBL204 P00734 Thrombin 95.05% 96.01%
CHEMBL2581 P07339 Cathepsin D 93.85% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.55% 97.25%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 90.49% 96.38%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.58% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.18% 99.23%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 86.32% 95.71%
CHEMBL221 P23219 Cyclooxygenase-1 85.23% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.53% 95.56%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 83.86% 82.69%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.04% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.07% 100.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.08% 97.14%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.95% 92.62%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 80.89% 96.77%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.60% 85.14%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.52% 95.89%

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 101585009
LOTUS LTS0088948
wikiData Q77280579