(2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol

Details

• Internal ID: 374b93f8-8c9b-46e4-ad35-8c588f5cbbdd
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
• IUPAC Name: (2Z,6E,8R,10E,14Z)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,8,16-triol
• SMILES (Canonical): CC(=CCO)CCC=C(C)CC(C=C(C)CCC=C(C)CO)O
• SMILES (Isomeric): C/C(=C/CO)/CC/C=C(\C)/C[C@H](/C=C(\C)/CC/C=C(/C)\CO)O
• InChI: InChI=1S/C20H34O3/c1-16(11-12-21)7-5-8-17(2)13-20(23)14-18(3)9-6-10-19(4)15-22/h8,10-11,14,20-23H,5-7,9,12-13,15H2,1-4H3/b16-11-,17-8+,18-14+,19-10-/t20-/m1/s1
• InChI Key: NGEXWFPIGXXDJN-UKQUAGIFSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₄O₃
• Molecular Weight: 322.50 g/mol
• Exact Mass: 322.25079494 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 4.30

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	92.57%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.92%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.20%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.49%	91.11%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	85.28%	92.08%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	81.39%	97.23%

Plants that contains it

• Bejaranoa balansae

Cross-Links

• PubChem: 163018725
• LOTUS: LTS0075531
• wikiData: Q105178864