6-Methyl-3,10-dimethylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2,9-dione

Details

• Internal ID: 854cac95-59b6-4abb-9957-949a8dfcc92c
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
• IUPAC Name: 6-methyl-3,10-dimethylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2,9-dione
• SMILES (Canonical): CC1=CCC2C(CC(=C)C(=O)CC1)OC(=O)C2=C
• SMILES (Isomeric): CC1=CCC2C(CC(=C)C(=O)CC1)OC(=O)C2=C
• InChI: InChI=1S/C15H18O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h4,12,14H,2-3,5-8H2,1H3
• InChI Key: USQSHXAIPZHJMS-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₈O₃
• Molecular Weight: 246.30 g/mol
• Exact Mass: 246.125594432 g/mol
• Topological Polar Surface Area (TPSA): 43.40 Ų
• XlogP: 2.30

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	93.04%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.13%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.77%	91.11%
CHEMBL2581	P07339	Cathepsin D	85.59%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.77%	99.23%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	83.03%	96.00%

Plants that contains it

• Calea szyszylowiczii

Cross-Links

• PubChem: 162896834
• LOTUS: LTS0197030
• wikiData: Q105278433