Hovetrichoside D

Details

• Internal ID: 7881c8eb-d2d2-4f7f-9dc3-39c337a4af2a
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Aurone O-glycosides
• IUPAC Name: 2,6-dihydroxy-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[4-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]-1-benzofuran-3-one
• InChI: InChI=1S/C27H32O15/c1-10-18(30)20(32)22(34)25(38-10)39-13-4-2-11(3-5-13)8-27(37)24(36)17-14(6-12(29)7-15(17)42-27)40-26-23(35)21(33)19(31)16(9-28)41-26/h2-7,10,16,18-23,25-26,28-35,37H,8-9H2,1H3/t10?,16?,18-,19+,20?,21-,22-,23?,25-,26+,27?/m0/s1
• InChI Key: GRXIBUCMIOIMAU-CRGPTENZSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₃₂O₁₅
• Molecular Weight: 596.50 g/mol
• Exact Mass: 596.17412031 g/mol
• Topological Polar Surface Area (TPSA): 245.00 Ų
• XlogP: -1.50

Synonyms

• Maesopsin 4-glucoside 4'-rhamnoside
• 2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-glucoside 4'-rhamnoside
• LMPK12130071

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	99.33%	91.11%
CHEMBL2581	P07339	Cathepsin D	98.28%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.75%	94.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.17%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.48%	86.33%
CHEMBL4208	P20618	Proteasome component C5	92.68%	90.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.46%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.66%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.51%	99.17%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.41%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	88.83%	95.93%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.65%	95.89%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	88.58%	95.89%
CHEMBL3401	O75469	Pregnane X receptor	86.97%	94.73%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.85%	86.92%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.19%	94.45%
CHEMBL3714130	P46095	G-protein coupled receptor 6	83.82%	97.36%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	81.17%	96.21%

Plants that contains it

• Hovenia trichocarpa

Cross-Links

• PubChem: 42607793
• LOTUS: LTS0073399
• wikiData: Q105016817