5,10-Dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,8-dien-2-one

Details

• Internal ID: 67b99859-914f-40cf-98b9-161c02b2b00b
• Taxonomy: Phenylpropanoids and polyketides > Macrolides and analogues
• IUPAC Name: 5,10-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,8-dien-2-one
• InChI: InChI=1S/C17H28O4/c1-12-7-8-15(18)13(2)6-5-10-17(4,20)11-9-16(19)21-14(12)3/h5-6,10,12,14-15,18,20H,7-9,11H2,1-4H3
• InChI Key: AIPQJEGNCNESPP-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₈O₄
• Molecular Weight: 296.40 g/mol
• Exact Mass: 296.19875937 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 2.20

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.74%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.19%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.39%	99.23%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.30%	100.00%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	86.04%	94.80%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.83%	94.45%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	83.66%	93.40%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	83.58%	86.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.41%	97.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.15%	86.33%
CHEMBL2581	P07339	Cathepsin D	82.85%	98.95%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	82.13%	96.77%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162888929
• LOTUS: LTS0084930
• wikiData: Q103816155