(6,9,10-Trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-12-yl) 2-methylprop-2-enoate

Details

• Internal ID: a87e351a-e1b0-4328-b0f8-e9f848e57127
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: (6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-12-yl) 2-methylprop-2-enoate
• SMILES (Canonical): CC1CC(C2C3(C1(CC4=C(C3)OC=C4C)C)O2)OC(=O)C(=C)C
• SMILES (Isomeric): CC1CC(C2C3(C1(CC4=C(C3)OC=C4C)C)O2)OC(=O)C(=C)C
• InChI: InChI=1S/C19H24O4/c1-10(2)17(20)22-14-6-12(4)18(5)7-13-11(3)9-21-15(13)8-19(18)16(14)23-19/h9,12,14,16H,1,6-8H2,2-5H3
• InChI Key: WGKZFTOMUSZDQU-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₄O₄
• Molecular Weight: 316.40 g/mol
• Exact Mass: 316.16745924 g/mol
• Topological Polar Surface Area (TPSA): 52.00 Ų
• XlogP: 3.80

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.83%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.15%	89.00%
CHEMBL340	P08684	Cytochrome P450 3A4	87.81%	91.19%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.61%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.09%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.47%	94.45%
CHEMBL2996	Q05655	Protein kinase C delta	84.51%	97.79%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.24%	97.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.70%	86.33%

Plants that contains it

• Senecio caudatus

Cross-Links

• PubChem: 163044924
• LOTUS: LTS0193498
• wikiData: Q105304599