Furanofukinin

Details

• Internal ID: b4857946-9288-47c2-9f85-d2a5d348c9e4
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
• IUPAC Name: 4-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran
• SMILES (Canonical): CC1CCCC2C1(C(C3=C(C2)OC=C3C)OC)C
• SMILES (Isomeric): CC1CCCC2C1(C(C3=C(C2)OC=C3C)OC)C
• InChI: InChI=1S/C16H24O2/c1-10-9-18-13-8-12-7-5-6-11(2)16(12,3)15(17-4)14(10)13/h9,11-12,15H,5-8H2,1-4H3
• InChI Key: JRLLKNNCOWNIBL-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₄O₂
• Molecular Weight: 248.36 g/mol
• Exact Mass: 248.177630004 g/mol
• Topological Polar Surface Area (TPSA): 22.40 Ų
• XlogP: 4.20

Synonyms

• Petasalbin methyl ether
• 6b-Methoxyfuranoeremophilane
• 6beta-Methoxyfuranoeremophilane
• CHEBI:168175
• 4-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.06%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.85%	97.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	90.44%	92.94%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.13%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.55%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.32%	95.89%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	85.08%	86.00%
CHEMBL1907601	P11802	Cyclin-dependent kinase 4/cyclin D1	84.78%	98.99%
CHEMBL2581	P07339	Cathepsin D	83.71%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.67%	94.45%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	83.36%	97.14%
CHEMBL4835	P00338	L-lactate dehydrogenase A chain	82.18%	95.34%
CHEMBL5203	P33316	dUTP pyrophosphatase	81.83%	99.18%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	80.00%	95.53%

Plants that contains it

• Ligularia kanaitzensis
• Ligularia lamarum
• Ligularia subspicata
• Ligularia vellerea
• Ligularia virgaurea
• Petasites japonicus

Cross-Links

• PubChem: 78385403
• LOTUS: LTS0202718
• wikiData: Q105133978