Raistrickione C

Details

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Internal ID 8f1b1393-4a5c-4afe-b4c4-7f3a371ff711
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
IUPAC Name (2R)-1-(3,5-dihydroxy-4-methylphenyl)-2-hydroxy-2-[(2R,5S)-5-methyloxolan-2-yl]ethanone
SMILES (Canonical) CC1CCC(O1)C(C(=O)C2=CC(=C(C(=C2)O)C)O)O
SMILES (Isomeric) C[C@H]1CC[C@@H](O1)[C@H](C(=O)C2=CC(=C(C(=C2)O)C)O)O
InChI InChI=1S/C14H18O5/c1-7-3-4-12(19-7)14(18)13(17)9-5-10(15)8(2)11(16)6-9/h5-7,12,14-16,18H,3-4H2,1-2H3/t7-,12+,14+/m0/s1
InChI Key IVPHPOWDCQBSHT-AAAAQAOESA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C14H18O5
Molecular Weight 266.29 g/mol
Exact Mass 266.11542367 g/mol
Topological Polar Surface Area (TPSA) 87.00 Ų
XlogP 1.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Raistrickione 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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.15% 91.11%
CHEMBL4040 P28482 MAP kinase ERK2 93.19% 83.82%
CHEMBL2581 P07339 Cathepsin D 90.84% 98.95%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 90.76% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.11% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.96% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.56% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.65% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 83.43% 94.73%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 82.15% 94.80%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.57% 97.09%
CHEMBL340 P08684 Cytochrome P450 3A4 81.25% 91.19%
CHEMBL4208 P20618 Proteasome component C5 80.54% 90.00%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 80.45% 98.75%

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 139590645
LOTUS LTS0098187
wikiData Q105121198