(6E,10E,14E)-16-(2,5-dihydroxy-3-methylphenyl)-2-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one

Details

• Internal ID: 2f9be632-9ea6-4c38-bb0f-8127060caada
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: (6E,10E,14E)-16-(2,5-dihydroxy-3-methylphenyl)-2-hydroxy-2,6,10,14-tetramethylhexadeca-6,10,14-trien-3-one
• InChI: InChI=1S/C27H40O4/c1-19(10-8-12-21(3)14-16-25(29)27(5,6)31)9-7-11-20(2)13-15-23-18-24(28)17-22(4)26(23)30/h9,12-13,17-18,28,30-31H,7-8,10-11,14-16H2,1-6H3/b19-9+,20-13+,21-12+
• InChI Key: HQOIUYUEWZETKH-HDHMXJLPSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₄₀O₄
• Molecular Weight: 428.60 g/mol
• Exact Mass: 428.29265975 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 6.70

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.42%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	96.46%	94.73%
CHEMBL2581	P07339	Cathepsin D	89.87%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.35%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.72%	86.33%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	85.33%	92.08%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.29%	95.56%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	84.50%	90.93%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.50%	89.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.02%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.41%	96.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11640528
• LOTUS: LTS0154495
• wikiData: Q105032355