Penihydrone

Details

• Internal ID: 90691d04-8cf0-47ed-8282-669472a9faf9
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives
• IUPAC Name: (2R,3S,5R)-3-[(1E,3E)-hepta-1,3-dienyl]-5-hydroxy-2-(hydroxymethyl)cyclohexan-1-one
• InChI: InChI=1S/C14H22O3/c1-2-3-4-5-6-7-11-8-12(16)9-14(17)13(11)10-15/h4-7,11-13,15-16H,2-3,8-10H2,1H3/b5-4+,7-6+/t11-,12-,13+/m1/s1
• InChI Key: HBWFPUIBEDBVSO-FHMLZERMSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₂O₃
• Molecular Weight: 238.32 g/mol
• Exact Mass: 238.15689456 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 2.10

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
CHEMBL2581	P07339	Cathepsin D	90.83%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.83%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.83%	96.09%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	87.49%	89.34%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.72%	95.56%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.38%	96.95%
CHEMBL226	P30542	Adenosine A1 receptor	85.55%	95.93%
CHEMBL253	P34972	Cannabinoid CB2 receptor	83.83%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.50%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.41%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10657578
• LOTUS: LTS0083804
• wikiData: Q77502239