[2,4,5-triacetyloxy-6-methyl-3-[(2R)-6-methylhept-5-en-2-yl]phenyl] (Z)-2-methylbut-2-enoate

Details

• Internal ID: 715ae7aa-04f1-48a6-81d2-83e5401df35a
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: [2,4,5-triacetyloxy-6-methyl-3-[(2R)-6-methylhept-5-en-2-yl]phenyl] (Z)-2-methylbut-2-enoate
• InChI: InChI=1S/C26H34O8/c1-10-15(4)26(30)34-23-17(6)22(31-18(7)27)24(32-19(8)28)21(25(23)33-20(9)29)16(5)13-11-12-14(2)3/h10,12,16H,11,13H2,1-9H3/b15-10-/t16-/m1/s1
• InChI Key: HFWNMIDRDHWZTQ-DDITZMBXSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₄O₈
• Molecular Weight: 474.50 g/mol
• Exact Mass: 474.22536804 g/mol
• Topological Polar Surface Area (TPSA): 105.00 Ų
• XlogP: 5.60

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	94.20%	98.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	92.08%	97.21%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.20%	94.45%
CHEMBL3359	P21462	Formyl peptide receptor 1	89.18%	93.56%
CHEMBL3401	O75469	Pregnane X receptor	87.90%	94.73%
CHEMBL4005	P42336	PI3-kinase p110-alpha subunit	85.92%	97.47%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.88%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.22%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.75%	96.95%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	83.54%	91.24%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	82.69%	98.75%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	82.34%	96.00%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	80.28%	96.47%

Plants that contains it

• Acourtia mexicana

Cross-Links

• PubChem: 163190981
• LOTUS: LTS0178373
• wikiData: Q105027591