10-Hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one

Details

• Internal ID: 0ff24c51-5d8d-49c4-8bb2-e32e25d86c3b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one
• SMILES (Canonical): CC(=CC(=O)CC(=CCCC(C)(C=C)O)C)C
• SMILES (Isomeric): CC(=CC(=O)CC(=CCCC(C)(C=C)O)C)C
• InChI: InChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3
• InChI Key: NYBCPVODSGRKRC-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₂
• Molecular Weight: 236.35 g/mol
• Exact Mass: 236.177630004 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 3.40

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
CHEMBL3401	O75469	Pregnane X receptor	91.34%	94.73%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	90.95%	89.34%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.07%	96.95%
CHEMBL2581	P07339	Cathepsin D	85.96%	98.95%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	85.46%	90.93%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.91%	97.21%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	84.47%	94.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.20%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.18%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.44%	85.14%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	82.28%	91.07%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	81.85%	96.47%

Plants that contains it

• Brachylaena discolor var. transvaalensis
• Magnolia kobus
• Pentzia incana
• Schistostephium crataegifolium
• Solanum melongena

Cross-Links

• PubChem: 71364441
• LOTUS: LTS0084321
• wikiData: Q105187428