Amidepsine K

Details

• Internal ID: b92c1bbb-536b-4b19-a822-11da97308c30
• Taxonomy: Phenylpropanoids and polyketides > Depsides and depsidones
• IUPAC Name: 2-hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoyl]oxy-6-methylbenzoic acid
• SMILES (Canonical): CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O)O)OC
• SMILES (Isomeric): CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O)O)OC
• InChI: InChI=1S/C25H22O10/c1-11-6-15(9-17(26)20(11)23(29)30)34-25(32)22-13(3)7-16(10-19(22)28)35-24(31)21-12(2)5-14(33-4)8-18(21)27/h5-10,26-28H,1-4H3,(H,29,30)
• InChI Key: HOBYJDBWEPWNOO-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₂O₁₀
• Molecular Weight: 482.40 g/mol
• Exact Mass: 482.12129689 g/mol
• Topological Polar Surface Area (TPSA): 160.00 Ų
• XlogP: 5.90

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1860	P10827	Thyroid hormone receptor alpha	94.73%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.24%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.04%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.24%	91.11%
CHEMBL4208	P20618	Proteasome component C5	89.06%	90.00%
CHEMBL3194	P02766	Transthyretin	87.74%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.40%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.57%	86.33%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	83.42%	91.07%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.37%	95.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 44818984
• LOTUS: LTS0076795
• wikiData: Q104168042