3,7,11,15,19,23,27,31,35,39-Decamethyltetraconta-1,6,38-triene-3,11,15,19,23,27,31,35-octol

Details

• Internal ID: 73ce5b53-71bc-429f-ac8d-1e5e6c955e5e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Polyterpenoids
• IUPAC Name: 3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,38-triene-3,11,15,19,23,27,31,35-octol
• SMILES (Canonical): CC(=CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(=CCCC(C)(C=C)O)C)O)O)O)O)O)O)O)C
• SMILES (Isomeric): CC(=CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(=CCCC(C)(C=C)O)C)O)O)O)O)O)O)O)C
• InChI: InChI=1S/C50H96O8/c1-13-43(5,51)26-15-24-42(4)25-16-28-45(7,53)30-18-32-47(9,55)34-20-36-49(11,57)38-22-40-50(12,58)39-21-37-48(10,56)35-19-33-46(8,54)31-17-29-44(6,52)27-14-23-41(2)3/h13,23-24,51-58H,1,14-22,25-40H2,2-12H3
• InChI Key: MAOGWCURFNFOIO-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₀H₉₆O₈
• Molecular Weight: 825.30 g/mol
• Exact Mass: 824.71052002 g/mol
• Topological Polar Surface Area (TPSA): 162.00 Ų
• XlogP: 9.10

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
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	92.73%	92.08%
CHEMBL3401	O75469	Pregnane X receptor	91.80%	94.73%
CHEMBL2581	P07339	Cathepsin D	89.95%	98.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	85.36%	97.21%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	85.27%	96.90%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	82.16%	90.93%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.00%	96.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.08%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 76524555
• LOTUS: LTS0083835
• wikiData: Q104171510