Waikialide A

Details

• Internal ID: b834815b-eb63-4dcc-b986-429d149daa41
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives
• IUPAC Name: (2R,3R,5R)-3-hepta-1,3,5-trienyl-5-hydroxy-2-methylcyclohexan-1-one
• InChI: InChI=1S/C14H20O2/c1-3-4-5-6-7-8-12-9-13(15)10-14(16)11(12)2/h3-8,11-13,15H,9-10H2,1-2H3/t11-,12+,13-/m1/s1
• InChI Key: JQUGOGSMHDBLNB-FRRDWIJNSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.31 g/mol
• Exact Mass: 220.146329876 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 2.40

Synonyms

• (2R,3R,5R)-3-hepta-1,3,5-trienyl-5-hydroxy-2-methylcyclohexan-1-one
• RefChem:194722
• CHEBI:205008

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.61%	96.09%
CHEMBL2581	P07339	Cathepsin D	90.27%	98.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	88.82%	89.34%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.78%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.72%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.26%	97.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.20%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139585396
• LOTUS: LTS0082597
• wikiData: Q77421491