Michaolide K

Details

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Internal ID 9fa110d3-9cbb-450d-a29e-440d9b326860
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones > Cembranolides
IUPAC Name [(3aR,4R,6E,10E,13R,14R,15S,15aS)-4-acetyloxy-14,15-dihydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-4,5,8,9,12,13,15,15a-octahydro-3aH-cyclotetradeca[b]furan-13-yl] acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H34O8/c1-13-8-7-9-14(2)12-18(30-16(4)25)20-15(3)23(28)32-21(20)22(27)24(6,29)19(11-10-13)31-17(5)26/h9-10,18-22,27,29H,3,7-8,11-12H2,1-2,4-6H3/b13-10+,14-9+/t18-,19-,20-,21+,22+,24+/m1/s1
InChI Key IQBWQYJKNHZZBD-MXWKRVGCSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C24H34O8
Molecular Weight 450.50 g/mol
Exact Mass 450.22536804 g/mol
Topological Polar Surface Area (TPSA) 119.00 Ų
XlogP 1.80

Synonyms

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(3aR,4R,6E,10E,13R,14R,15S,15aS)-14,15-dihydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,12,13,14,15,15a-dodecahydrocyclotetradeca[b]furan-4,13-diyl diacetate
CHEBI:66384
Q27134940
[(3aR,4R,6E,10E,13R,14R,15S,15aS)-4-acetyloxy-14,15-dihydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-4,5,8,9,12,13,15,15a-octahydro-3aH-cyclotetradeca[b]furan-13-yl] acetate

2D Structure

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2D Structure of Michaolide K

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 98.52% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.22% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.54% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.63% 86.33%
CHEMBL2581 P07339 Cathepsin D 90.85% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.20% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.08% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.62% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.04% 89.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.42% 95.50%
CHEMBL340 P08684 Cytochrome P450 3A4 82.81% 91.19%
CHEMBL5028 O14672 ADAM10 80.90% 97.50%
CHEMBL4208 P20618 Proteasome component C5 80.28% 90.00%

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 16723679
LOTUS LTS0061653
wikiData Q27134940