(6S,7E,10S)-6-hydroperoxy-10-hydroxy-2,6,10-trimethyldodeca-2,7,11-trien-4-one

Details

• Internal ID: 2b12ec18-aed9-4a5c-b2ba-ac0b5ea5eb96
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (6S,7E,10S)-6-hydroperoxy-10-hydroxy-2,6,10-trimethyldodeca-2,7,11-trien-4-one
• InChI: InChI=1S/C15H24O4/c1-6-14(4,17)8-7-9-15(5,19-18)11-13(16)10-12(2)3/h6-7,9-10,17-18H,1,8,11H2,2-5H3/b9-7+/t14-,15-/m1/s1
• InChI Key: VKKZYMLSLLRWLW-VIGJRRFGSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₄
• Molecular Weight: 268.35 g/mol
• Exact Mass: 268.16745924 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 1.90

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
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	92.70%	96.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.45%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	87.03%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.69%	99.17%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	86.35%	90.93%
CHEMBL2581	P07339	Cathepsin D	84.80%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.55%	86.33%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	84.01%	89.34%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	83.24%	91.07%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.09%	85.14%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	80.05%	97.21%

Plants that contains it

• Magnolia kobus

Cross-Links

• PubChem: 163024742
• LOTUS: LTS0081745
• wikiData: Q105287837