Farnesol formate

Details

• Internal ID: 735d898b-65d1-4f4b-9cac-654284ac0980
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] formate
• SMILES (Canonical): CC(=CCCC(=CCCC(=CCOC=O)C)C)C
• SMILES (Isomeric): CC(=CCC/C(=C/CC/C(=C/COC=O)/C)/C)C
• InChI: InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-18-13-17/h7,9,11,13H,5-6,8,10,12H2,1-4H3/b15-9+,16-11+
• InChI Key: KSBAOYWMHJTPQU-XGGJEREUSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₆O₂
• Molecular Weight: 250.38 g/mol
• Exact Mass: 250.193280068 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 5.30

Synonyms

• (E,E)-Farnesol formate
• SCHEMBL3031314
• SCHEMBL14467010
• KSBAOYWMHJTPQU-XGGJEREUSA-N
• (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl formate
• 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, 1-formate, (2E,6E)-

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
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	93.69%	92.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.13%	96.09%
CHEMBL2581	P07339	Cathepsin D	88.07%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	85.30%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.13%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.27%	91.11%

Plants that contains it

• Daphne odora

Cross-Links

• PubChem: 19373487
• LOTUS: LTS0122132
• wikiData: Q104253744