Confertifoline

Details

• Internal ID: 91031e20-96a3-469f-9563-7330a626628e
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
• SMILES (Canonical): CC1(CCCC2(C1CCC3=C2COC3=O)C)C
• SMILES (Isomeric): CC1(CCCC2(C1CCC3=C2COC3=O)C)C
• InChI: InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3
• InChI Key: ZERYGJQXPPRRCW-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.33 g/mol
• Exact Mass: 234.161979940 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 3.80

Synonyms

• NSC375294
• NCIMech_000461
• SCHEMBL6438246
• CHEMBL1993066
• NSC-375294
• PD011748
• FT-0777839
• 6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1h)-one

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.70%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.41%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.91%	95.56%
CHEMBL2581	P07339	Cathepsin D	90.36%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.89%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.81%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.71%	94.45%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	86.21%	93.04%
CHEMBL1902	P62942	FK506-binding protein 1A	85.17%	97.05%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	84.06%	82.69%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.70%	99.23%

Plants that contains it

• Drimys brasiliensis
• Persicaria hydropiper

Cross-Links

• PubChem: 435751
• LOTUS: LTS0227277
• wikiData: Q105373629