6,9-dimethyl-3-methylidene-5-(3,4,5-trihydroxyoxan-2-yl)oxy-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione

Details

• Internal ID: c351c687-382e-45e6-bf5b-01ff8547f427
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: 6,9-dimethyl-3-methylidene-5-(3,4,5-trihydroxyoxan-2-yl)oxy-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
• InChI: InChI=1S/C20H24O8/c1-7-4-11(21)15-9(3)13(27-20-17(24)16(23)12(22)6-26-20)5-10-8(2)19(25)28-18(10)14(7)15/h4,10,12-14,16-18,20,22-24H,2,5-6H2,1,3H3
• InChI Key: ZWNSWJQXKACWNW-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₄O₈
• Molecular Weight: 392.40 g/mol
• Exact Mass: 392.14711772 g/mol
• Topological Polar Surface Area (TPSA): 123.00 Ų
• XlogP: -1.10

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.87%	97.25%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.84%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.50%	91.11%
CHEMBL2581	P07339	Cathepsin D	90.65%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.09%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.41%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.72%	99.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.38%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.29%	94.00%
CHEMBL1951	P21397	Monoamine oxidase A	82.32%	91.49%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.38%	95.50%

Plants that contains it

• Lactuca triangulata

Cross-Links

• PubChem: 163046247
• LOTUS: LTS0207056
• wikiData: Q105385054