Cladosporiumin F

Details

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Internal ID a4001582-11c2-4bb2-9896-a53a1eca4ddf
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones > Beta-hydroxy ketones
IUPAC Name 3-(3,5-dihydroxyhexanoyl)-4-hydroxy-5-propan-2-ylidenepyrrol-2-one
SMILES (Canonical) CC(CC(CC(=O)C1=C(C(=C(C)C)NC1=O)O)O)O
SMILES (Isomeric) CC(CC(CC(=O)C1=C(C(=C(C)C)NC1=O)O)O)O
InChI InChI=1S/C13H19NO5/c1-6(2)11-12(18)10(13(19)14-11)9(17)5-8(16)4-7(3)15/h7-8,15-16,18H,4-5H2,1-3H3,(H,14,19)
InChI Key GFECIIOJYPXSGC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H19NO5
Molecular Weight 269.29 g/mol
Exact Mass 269.12632271 g/mol
Topological Polar Surface Area (TPSA) 107.00 Ų
XlogP 0.40

Synonyms

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CHEBI:189399
3-(3,5-dihydroxyhexanoyl)-4-hydroxy-5-propan-2-ylidenepyrrol-2-one

2D Structure

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2D Structure of Cladosporiumin F

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
CHEMBL2581 P07339 Cathepsin D 96.03% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.26% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.92% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.96% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.88% 85.14%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 88.01% 89.34%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 86.64% 83.10%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.67% 96.47%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.66% 93.03%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.15% 97.25%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 83.04% 95.71%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 82.66% 98.75%
CHEMBL213 P08588 Beta-1 adrenergic receptor 81.56% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.79% 90.71%

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 139590262
LOTUS LTS0059005
wikiData Q104167110