(Z,7S,11S)-3,7,11,15-tetramethylhexadec-2-en-1-ol

Details

• Internal ID: 415b33df-1fab-40c3-9fcf-6925795e82f6
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
• IUPAC Name: (Z,7S,11S)-3,7,11,15-tetramethylhexadec-2-en-1-ol
• SMILES (Canonical): CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
• SMILES (Isomeric): C[C@H](CCC[C@H](C)CCC/C(=C\CO)/C)CCCC(C)C
• InChI: InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15-/t18-,19-/m0/s1
• InChI Key: BOTWFXYSPFMFNR-ITKMZDMZSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₄₀O
• Molecular Weight: 296.50 g/mol
• Exact Mass: 296.307915895 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 8.20

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
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	90.84%	97.29%
CHEMBL2581	P07339	Cathepsin D	89.18%	98.95%
CHEMBL3359	P21462	Formyl peptide receptor 1	87.65%	93.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.39%	96.09%
CHEMBL1907	P15144	Aminopeptidase N	86.16%	93.31%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.29%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.82%	91.11%
CHEMBL2885	P07451	Carbonic anhydrase III	82.76%	87.45%
CHEMBL2039	P27338	Monoamine oxidase B	82.22%	92.51%
CHEMBL3401	O75469	Pregnane X receptor	81.02%	94.73%

Plants that contains it

• Sideritis soluta

Cross-Links

• PubChem: 92966436
• LOTUS: LTS0192568
• wikiData: Q104940036