7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Details

• Internal ID: f6c1a91d-f3dd-42c4-b0f9-5fa954a4cd1b
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives > Coumarin glycosides
• IUPAC Name: 7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
• InChI: InChI=1S/C21H26O14/c22-5-9-12(25)14(27)16(29)20(32-9)31-8-3-1-7-2-4-11(24)34-18(7)19(8)35-21-17(30)15(28)13(26)10(6-23)33-21/h1-4,9-10,12-17,20-23,25-30H,5-6H2/t9-,10-,12+,13+,14+,15+,16-,17+,20-,21+/m1/s1
• InChI Key: AWXQCKPVCRTEHJ-YUIQGFGASA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₆O₁₄
• Molecular Weight: 502.40 g/mol
• Exact Mass: 502.13225550 g/mol
• Topological Polar Surface Area (TPSA): 225.00 Ų
• XlogP: -2.40

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
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.93%	94.00%
CHEMBL2581	P07339	Cathepsin D	85.88%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.72%	91.11%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	85.64%	86.92%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.28%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.05%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	81.29%	94.73%

Plants that contains it

• Daphne arisanensis

Cross-Links

• PubChem: 162899055
• LOTUS: LTS0068663
• wikiData: Q104920357