Olympicin D

Details

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Internal ID 9bfeff22-01c3-47bb-b565-dfa184fa85c4
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
IUPAC Name 1-[2-[(2E)-6-hydroperoxy-3,7-dimethylocta-2,7-dienoxy]-4,6-dihydroxyphenyl]-2-methylbutan-1-one
SMILES (Canonical) CCC(C)C(=O)C1=C(C=C(C=C1OCC=C(C)CCC(C(=C)C)OO)O)O
SMILES (Isomeric) CCC(C)C(=O)C1=C(C=C(C=C1OC/C=C(\C)/CCC(C(=C)C)OO)O)O
InChI InChI=1S/C21H30O6/c1-6-15(5)21(24)20-17(23)11-16(22)12-19(20)26-10-9-14(4)7-8-18(27-25)13(2)3/h9,11-12,15,18,22-23,25H,2,6-8,10H2,1,3-5H3/b14-9+
InChI Key BMEORAQEILRDFC-NTEUORMPSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C21H30O6
Molecular Weight 378.50 g/mol
Exact Mass 378.20423867 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 5.20

Synonyms

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CHEMBL2023361

2D Structure

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2D Structure of Olympicin D

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 97.01% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.76% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.70% 99.17%
CHEMBL2581 P07339 Cathepsin D 94.98% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 90.71% 94.73%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 87.93% 97.21%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.75% 94.45%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.51% 96.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.92% 89.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.36% 96.00%
CHEMBL4208 P20618 Proteasome component C5 83.78% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.72% 86.33%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.72% 100.00%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 83.57% 97.23%
CHEMBL1293316 Q9HBX9 Relaxin receptor 1 82.84% 82.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.76% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 82.23% 94.75%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.29% 90.71%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 81.16% 93.10%

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.
Hypericum olympicum

Cross-Links

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PubChem 57379194
LOTUS LTS0221709
wikiData Q104938365