(1R,3aR,5S,5aR,9aR)-1,5,8-trimethyl-1,3a,4,5,5a,6,9,9a-octahydroazuleno[6,5-b]furan-2,7-dione

Details

• Internal ID: 69a14eb7-70ec-48ad-b29d-c81a073f2dd9
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
• IUPAC Name: (1R,3aR,5S,5aR,9aR)-1,5,8-trimethyl-1,3a,4,5,5a,6,9,9a-octahydroazuleno[6,5-b]furan-2,7-dione
• InChI: InChI=1S/C15H20O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,9-10,12,14H,4-6H2,1-3H3/t7-,9+,10+,12+,14+/m0/s1
• InChI Key: DUMCJGUZARULAI-UQXSBHSZSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32 g/mol
• Exact Mass: 248.14124450 g/mol
• Topological Polar Surface Area (TPSA): 43.40 Ų
• XlogP: 1.90

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
CHEMBL4481	P35228	Nitric oxide synthase, inducible	93.89%	94.80%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.95%	97.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.67%	95.56%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	88.65%	86.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.96%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.28%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.77%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.33%	99.23%

Plants that contains it

• Geigeria alata

Cross-Links

• PubChem: 14414347
• LOTUS: LTS0122200
• wikiData: Q104989323