5,11,15,15-Tetramethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadeca-4,13-diene-6,12-dione

Details

• Internal ID: 3c300cac-4ffd-4abe-8d1d-acd5477f9723
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadeca-4,13-diene-6,12-dione
• InChI: InChI=1S/C20H24O4/c1-10-15-11(23-17(10)22)9-13-19(4)12(5-8-20(13)16(15)24-20)18(2,3)7-6-14(19)21/h6-7,11-13,16H,5,8-9H2,1-4H3
• InChI Key: WBIBIWFRZZOHCY-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₄O₄
• Molecular Weight: 328.40 g/mol
• Exact Mass: 328.16745924 g/mol
• Topological Polar Surface Area (TPSA): 55.90 Ų
• XlogP: 2.20

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.85%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.57%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.63%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.46%	100.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.90%	99.23%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	84.28%	97.14%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.14%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.89%	86.33%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	80.04%	93.04%

Plants that contains it

• Suregada multiflora

Cross-Links

• PubChem: 72790888
• LOTUS: LTS0162964
• wikiData: Q104888990