(3R,6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol

Details

• Internal ID: 7c8f5372-aa66-405f-b10b-3a92b601da23
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
• IUPAC Name: (3R,6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol
• SMILES (Canonical): CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC(C(=C)C)O)C)C)C
• SMILES (Isomeric): CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CC[C@H](C(=C)C)O)/C)/C)C
• InChI: InChI=1S/C30H50O/c1-24(2)14-11-17-28(7)20-12-18-26(5)15-9-10-16-27(6)19-13-21-29(8)22-23-30(31)25(3)4/h14-16,20-21,30-31H,3,9-13,17-19,22-23H2,1-2,4-8H3/b26-15+,27-16+,28-20+,29-21+/t30-/m1/s1
• InChI Key: JLUBMMAQMKVTGL-PHKCVZPVSA-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	93.64%	92.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.03%	96.09%
CHEMBL2581	P07339	Cathepsin D	89.78%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.20%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	85.05%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.19%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.05%	94.45%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	81.63%	93.10%

Plants that contains it

• Aglaia leptantha
• Croton hieronymi

Cross-Links

• PubChem: 101588274
• LOTUS: LTS0197074
• wikiData: Q105272646