Tuberatolide A

Details

• Internal ID: cae16c43-0126-462b-bd1f-c17d35ab52de
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones
• IUPAC Name: (2R)-2-[(E)-2-methyl-6-oxohept-2-enyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one
• InChI: InChI=1S/C18H26O3/c1-13(2)7-5-10-16-12-17(21-18(16)20)11-14(3)8-6-9-15(4)19/h7-8,12,17H,5-6,9-11H2,1-4H3/b14-8+/t17-/m1/s1
• InChI Key: HPYAKDUQYJHSJJ-LEHPZIBWSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₆O₃
• Molecular Weight: 290.40 g/mol
• Exact Mass: 290.18819469 g/mol
• Topological Polar Surface Area (TPSA): 43.40 Ų
• XlogP: 4.00

Synonyms

• CHEMBL1668773
• CHEBI:70185
• BDBM50335907
• Q27138524

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	94.67%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	89.78%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.93%	95.56%
CHEMBL2581	P07339	Cathepsin D	88.00%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.88%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.67%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.25%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.49%	99.23%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 50993673
• LOTUS: LTS0080196
• wikiData: Q27138524