(7S,11R)-7,11,15-trimethyl-3-methylidenehexadec-1-ene

Details

• Internal ID: 6a4813cd-5b24-4c25-ad5f-bfa8c8bfc877
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (7S,11R)-7,11,15-trimethyl-3-methylidenehexadec-1-ene
• SMILES (Canonical): CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C
• SMILES (Isomeric): C[C@@H](CCC[C@H](C)CCCC(=C)C=C)CCCC(C)C
• InChI: InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3/t19-,20-/m1/s1
• InChI Key: NIDGCIPAMWNKOA-WOJBJXKFSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₈
• Molecular Weight: 278.50 g/mol
• Exact Mass: 278.297351212 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 9.60

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	88.20%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.58%	96.09%
CHEMBL1907	P15144	Aminopeptidase N	84.51%	93.31%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.47%	99.17%
CHEMBL2885	P07451	Carbonic anhydrase III	84.01%	87.45%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	83.75%	83.57%
CHEMBL203	P00533	Epidermal growth factor receptor erbB1	83.46%	97.34%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	83.22%	97.29%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	82.76%	96.47%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.10%	91.11%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.62%	93.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.18%	90.71%

Plants that contains it

• Centaurea armena
• Mandragora officinarum
• Pojarkovia pojarkovae

Cross-Links

• PubChem: 92852048
• LOTUS: LTS0050801
• wikiData: Q105179754