5a-hydroxy-1,5,8-trimethyl-3a,4,5,6,9,9a-hexahydro-1H-azuleno[6,5-b]furan-2,7-dione

Details

• Internal ID: 142ad64d-d8e1-444e-bc5e-f53991606a21
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
• IUPAC Name: 5a-hydroxy-1,5,8-trimethyl-3a,4,5,6,9,9a-hexahydro-1H-azuleno[6,5-b]furan-2,7-dione
• InChI: InChI=1S/C15H20O4/c1-7-4-13-10(8(2)14(17)19-13)5-11-9(3)12(16)6-15(7,11)18/h7-8,10,13,18H,4-6H2,1-3H3
• InChI Key: GLHITFKRBRXLBN-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₄
• Molecular Weight: 264.32 g/mol
• Exact Mass: 264.13615911 g/mol
• Topological Polar Surface Area (TPSA): 63.60 Ų
• XlogP: 0.90

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.61%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.50%	97.25%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.78%	85.14%
CHEMBL2996	Q05655	Protein kinase C delta	86.94%	97.79%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.64%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.55%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.40%	97.09%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	83.65%	93.04%
CHEMBL1902	P62942	FK506-binding protein 1A	83.25%	97.05%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	81.14%	94.80%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.12%	89.00%

Plants that contains it

• Stevia achalensis

Cross-Links

• PubChem: 162886183
• LOTUS: LTS0177037
• wikiData: Q105010929