Tsugicoline F

Details

• Internal ID: f59e5ec1-864c-4ac0-91b8-006a569f2536
• Taxonomy: Organoheterocyclic compounds > Furans > Furoic acid and derivatives > Furoic acids
• IUPAC Name: (4aS)-6,6,8-trimethyl-4,4a,5,7-tetrahydrocyclopenta[f][2]benzofuran-1-carboxylic acid
• SMILES (Canonical): CC1=C2CC(CC2CC3=COC(=C13)C(=O)O)(C)C
• SMILES (Isomeric): CC1=C2CC(C[C@H]2CC3=COC(=C13)C(=O)O)(C)C
• InChI: InChI=1S/C15H18O3/c1-8-11-6-15(2,3)5-9(11)4-10-7-18-13(12(8)10)14(16)17/h7,9H,4-6H2,1-3H3,(H,16,17)/t9-/m1/s1
• InChI Key: PTPNJDWWPAJMFA-SECBINFHSA-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): 50.40 Ų
• XlogP: 3.00

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.05%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.04%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.26%	94.45%
CHEMBL2581	P07339	Cathepsin D	87.68%	98.95%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.72%	96.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.72%	95.56%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	84.54%	96.38%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.19%	89.00%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	82.18%	93.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.94%	99.23%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	81.23%	97.21%
CHEMBL221	P23219	Cyclooxygenase-1	80.83%	90.17%

Plants that contains it

• Strychnos matopensis

Cross-Links

• PubChem: 10514564
• LOTUS: LTS0178295
• wikiData: Q105155649