2,6,15,19,23-Pentamethyl-10-methylidenetetracosa-2,6,14,18,22-pentaen-11-ol

Details

• Internal ID: b95ed1d9-9fe8-463f-a95f-57675ad9c7de
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
• IUPAC Name: 2,6,15,19,23-pentamethyl-10-methylidenetetracosa-2,6,14,18,22-pentaen-11-ol
• SMILES (Canonical): CC(=CCCC(=CCCC(=CCCC(C(=C)CCC=C(C)CCC=C(C)C)O)C)C)C
• SMILES (Isomeric): CC(=CCCC(=CCCC(=CCCC(C(=C)CCC=C(C)CCC=C(C)C)O)C)C)C
• InChI: InChI=1S/C30H50O/c1-24(2)14-9-16-26(5)18-11-19-28(7)21-13-23-30(31)29(8)22-12-20-27(6)17-10-15-25(3)4/h14-15,18,20-21,30-31H,8-13,16-17,19,22-23H2,1-7H3
• InChI Key: MUINNOMLJWUSBP-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₅₀O
• Molecular Weight: 426.70 g/mol
• Exact Mass: 426.386166214 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 10.60

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
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	94.40%	92.08%
CHEMBL2581	P07339	Cathepsin D	91.11%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.72%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.00%	91.11%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	82.02%	93.10%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.72%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	81.28%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.70%	99.17%

Plants that contains it

• Croton hieronymi

Cross-Links

• PubChem: 162989229
• LOTUS: LTS0124536
• wikiData: Q105172413