(3aR,5aR,8aR,9aR)-1,5,8-trimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one

Details

• Internal ID: e268f5cf-17c8-4abf-ad31-8593d8bb277a
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives
• IUPAC Name: (3aR,5aR,8aR,9aR)-1,5,8-trimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
• InChI: InChI=1S/C15H18O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h11-14H,1-7H2/t11-,12-,13+,14+/m0/s1
• InChI Key: IKRIZEKDIQYHTL-IGQOVBAYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₈O₂
• Molecular Weight: 230.30 g/mol
• Exact Mass: 230.130679813 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 2.60

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
CHEMBL217	P14416	Dopamine D2 receptor	92.55%	95.62%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.60%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.79%	97.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.57%	95.56%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	84.06%	96.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.33%	99.23%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.41%	91.11%
CHEMBL1902	P62942	FK506-binding protein 1A	81.11%	97.05%

Plants that contains it

• Scapania nemorea
• Stevia achalensis

Cross-Links

• PubChem: 102239740
• NPASS: NPC135055
• LOTUS: LTS0045696
• wikiData: Q105114884