(2R)-2-[[(1R,2S,6S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Details

• Internal ID: 6952cbec-42fd-4e57-82a2-27e409def4ea
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2R)-2-[[(1R,2S,6S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES (Canonical): C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O
• SMILES (Isomeric): C1=COC([C@@H]2[C@H]1C(C3[C@@]2(O3)CO)O)O[C@@H]4C(C(C(C(O4)CO)O)O)O
• InChI: InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6?,7-,8?,9?,10?,11?,12?,13?,14+,15+/m0/s1
• InChI Key: LHDWRKICQLTVDL-IONKOTTMSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₁₀
• Molecular Weight: 362.33 g/mol
• Exact Mass: 362.12129689 g/mol
• Topological Polar Surface Area (TPSA): 162.00 Ų
• XlogP: -3.20

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.93%	91.11%
CHEMBL218	P21554	Cannabinoid CB1 receptor	94.04%	96.61%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.47%	96.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	87.06%	86.92%
CHEMBL226	P30542	Adenosine A1 receptor	83.54%	95.93%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.52%	94.00%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	81.65%	83.57%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.50%	97.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.91%	92.94%
CHEMBL2072	P35499	Sodium channel protein type IV alpha subunit	80.28%	92.32%

Plants that contains it

• Aragoa cundinamarcensis
• Argylia radiata
• Asystasia gangetica subsp. micrantha
• Buddleja cordobensis
• Buddleja davidii
• Buddleja globosa
• Callitriche stagnalis
• Castilleja angustifolia var. dubia
• Castilleja integra
• Castilleja miniata
• Castilleja occidentalis
• Castilleja rhexifolia
• Catalpa bignonioides
• Chelone obliqua
• Eremophila maculata
• Gentiana kurroo
• Globularia dumulosa
• Globularia orientalis
• Holmskioldia sanguinea
• Lagotis brevituba
• Lagotis stolonifera
• Linaria macroura
• Littorella uniflora
• Mackaya bella
• Monochasma savateri
• Odontites vernus
• Paulownia tomentosa
• Penstemon albidus
• Penstemon ambiguus
• Penstemon auriberbis
• Penstemon parryi
• Penstemon secundiflorus
• Penstemon strictus
• Penstemon whippleanus
• Pinguicula vulgaris
• Plantago argentea
• Plantago hookeriana
• Plantago lagopus
• Plantago lanceolata
• Plantago major
• Plantago ovata
• Plantago patagonica
• Scutellaria albida
• Scutellaria grossa
• Scutellaria racemosa
• Stachys grandidentata
• Verbascum cheiranthifolium
• Verbascum georgicum
• Verbascum lychnitis
• Verbascum phoeniceum
• Verbascum sinuatum
• Verbascum spinosum
• Verbascum thapsus
• Verbascum wiedemannianum
• Veronica alpina
• Veronica anagallis-aquatica
• Veronica fuhsii
• Veronica liwanensis
• Veronica longifolia
• Veronica officinalis
• Zaluzianskya capensis

Cross-Links

• PubChem: 138107792
• LOTUS: LTS0137228
• wikiData: Q104249946