(2s,6r,10r)-6,10,14-Trimethylpentadecan-2-ol

Details

• Internal ID: 0444a7b9-c142-44ca-8790-cef6483ca90b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (2S,6R,10R)-6,10,14-trimethylpentadecan-2-ol
• SMILES (Canonical): CC(C)CCCC(C)CCCC(C)CCCC(C)O
• SMILES (Isomeric): C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)O
• InChI: InChI=1S/C18H38O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-19H,6-14H2,1-5H3/t16-,17-,18+/m1/s1
• InChI Key: HTUZNQGPJMIELO-KURKYZTESA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₈O
• Molecular Weight: 270.50 g/mol
• Exact Mass: 270.292265831 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 7.40

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
CHEMBL2581	P07339	Cathepsin D	91.32%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	90.84%	97.29%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.68%	96.09%
CHEMBL2885	P07451	Carbonic anhydrase III	85.62%	87.45%
CHEMBL1907	P15144	Aminopeptidase N	83.48%	93.31%
CHEMBL3359	P21462	Formyl peptide receptor 1	81.11%	93.56%
CHEMBL3401	O75469	Pregnane X receptor	80.54%	94.73%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.52%	85.14%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.25%	90.71%

Plants that contains it

• Gleditsia sinensis
• Lepisorus contortus

Cross-Links

• PubChem: 14550228
• NPASS: NPC117785