Radianspene C

Details

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Internal ID faaa55c6-bedd-4af3-8ce7-b83f3aae1944
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones
IUPAC Name (1S,2R,3R,3aR,5aR)-1,2-dihydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-benzo[f]azulen-8-one
SMILES (Canonical) CC(C)C1C(C(C2=CC3=C(C(=O)CCC3(CCC12C)C)CO)O)O
SMILES (Isomeric) CC(C)[C@H]1[C@H]([C@H](C2=CC3=C(C(=O)CC[C@]3(CC[C@]12C)C)CO)O)O
InChI InChI=1S/C20H30O4/c1-11(2)16-18(24)17(23)14-9-13-12(10-21)15(22)5-6-19(13,3)7-8-20(14,16)4/h9,11,16-18,21,23-24H,5-8,10H2,1-4H3/t16-,17-,18+,19-,20-/m0/s1
InChI Key OTUPIQJUQWGDQX-KNJMJIDISA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H30O4
Molecular Weight 334.40 g/mol
Exact Mass 334.21440943 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP 2.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Radianspene C

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.66% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.33% 96.09%
CHEMBL2581 P07339 Cathepsin D 97.12% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.68% 91.11%
CHEMBL226 P30542 Adenosine A1 receptor 93.88% 95.93%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.37% 94.45%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 89.46% 96.77%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.08% 95.56%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.98% 82.69%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.87% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.43% 95.89%
CHEMBL1937 Q92769 Histone deacetylase 2 85.27% 94.75%
CHEMBL4072 P07858 Cathepsin B 85.13% 93.67%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.86% 100.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.78% 85.14%
CHEMBL221 P23219 Cyclooxygenase-1 82.10% 90.17%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.47% 93.99%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.12% 90.71%
CHEMBL5103 Q969S8 Histone deacetylase 10 80.37% 90.08%

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.
There are no matching plants.

Cross-Links

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PubChem 59052608
LOTUS LTS0171072
wikiData Q75068328