Turkiyenine

Details

• Internal ID: c7cb8ba5-aeb9-42b3-8f8a-926de604c6e5
• Taxonomy: Organoheterocyclic compounds > Benzazepines
• IUPAC Name: 7'-methylspiro[7H-furo[3,2-g][1,3]benzodioxole-6,6'-[1,3]dioxolo[4,5-h][3]benzazepine]-5'-one
• SMILES (Canonical): CN1C=CC2=CC3=C(C=C2C(=O)C14COC5=C4C=CC6=C5OCO6)OCO3
• SMILES (Isomeric): CN1C=CC2=CC3=C(C=C2C(=O)C14COC5=C4C=CC6=C5OCO6)OCO3
• InChI: InChI=1S/C20H15NO6/c1-21-5-4-11-6-15-16(26-9-25-15)7-12(11)19(22)20(21)8-23-17-13(20)2-3-14-18(17)27-10-24-14/h2-7H,8-10H2,1H3
• InChI Key: OSHWDBDJVMRZTD-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₅NO₆
• Molecular Weight: 365.30 g/mol
• Exact Mass: 365.08993720 g/mol
• Topological Polar Surface Area (TPSA): 66.50 Ų
• XlogP: 3.00

Synonyms

• Turkiyenine
• Turkiye nine
• 7-methylspiro[1,3-dioxolo[4,5-h][3]benzazepine-6,6'-furo[2,3-e][1,3]benzodioxol]-5(7h)-one
• (+)-Turkiyenine
• DTXSID90919293
• 7-Methyl-2H,2'H,7'H-spiro[1,3-dioxolo[4,5-h][3]benzazepine-6,6'-furo[2,3-e][1,3]benzodioxol]-5(7H)-one
• Spiro(6H-1,3-dioxolo(4,5-h)(3)benzazepine-6,6'(7'H)-furo(2,3-e)(1,3)benzodioxol)-5(7H)-one, 7-methyl-, (+)-

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
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	99.36%	96.77%
CHEMBL2581	P07339	Cathepsin D	97.14%	98.95%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	96.45%	93.40%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.17%	95.56%
CHEMBL4208	P20618	Proteasome component C5	91.87%	90.00%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	91.17%	82.69%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.11%	96.09%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	90.36%	94.80%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.20%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	86.16%	91.49%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.68%	85.14%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.01%	100.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.76%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.20%	86.33%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	81.75%	94.42%
CHEMBL3192	Q9BY41	Histone deacetylase 8	81.04%	93.99%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.03%	89.00%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	80.02%	96.67%

Plants that contains it

• Chelidonium majus
• Hypecoum imberbe
• Hypecoum pendulum
• Hypecoum procumbens

Cross-Links

• PubChem: 185158
• LOTUS: LTS0239707
• wikiData: Q82891777