(E,3S)-tetradec-6-en-8,10,12-triyn-3-ol

Details

• Internal ID: 217412db-172a-4bdf-86be-e2fcd12087d0
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
• IUPAC Name: (E,3S)-tetradec-6-en-8,10,12-triyn-3-ol
• SMILES (Canonical): CCC(CCC=CC#CC#CC#CC)O
• SMILES (Isomeric): CC[C@@H](CC/C=C/C#CC#CC#CC)O
• InChI: InChI=1S/C14H16O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h10-11,14-15H,4,12-13H2,1-2H3/b11-10+/t14-/m0/s1
• InChI Key: FQCGENNZXNYXIL-VNDWYCCKSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₆O
• Molecular Weight: 200.28 g/mol
• Exact Mass: 200.120115130 g/mol
• Topological Polar Surface Area (TPSA): 20.20 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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.50%	96.09%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	90.29%	92.86%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	89.19%	98.75%
CHEMBL221	P23219	Cyclooxygenase-1	87.18%	90.17%
CHEMBL2581	P07339	Cathepsin D	85.46%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.06%	97.25%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.59%	99.17%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.44%	89.34%
CHEMBL206	P03372	Estrogen receptor alpha	81.10%	97.64%

Plants that contains it

• Artemisia vulgaris subsp. vulgaris

Cross-Links

• PubChem: 162949435
• LOTUS: LTS0078416
• wikiData: Q104999521