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Ingredients

(2s,3r,4r,5s,6r)-2-[[(1s,4as,5r,7ar)-4a,5-dihydroxy-7-methylol-5,7a-dihydro-1h-cyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol

C15H22O10

Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(2s,3r,4r,5s,6r)-2-[[(1s,4as,5r,7ar)-4a,5-dihydroxy-7-methylol-5,7a-dihydro-1h-cyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
Molecular Formula
C15H22O10
Molecular Weight
No data
Canonical SMILES
C1=COC(C2C1(C(C=C2CO)O)O)OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES
C1=CO[C@H]([C@H]2[C@@]1([C@@H](C=C2CO)O)O)O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C15H22O10/c16-4-6-3-8(18)15(22)1-2-23-13(9(6)15)25-14-12(21)11(20)10(19)7(5-17)24-14/h1-3,7-14,16-22H,4-5H2/t7-,8-,9+,10-,11-,12-,13+,14+,15-/m1/s1
Oral Bioavailability
3.103
Drug Likeness
0.247
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Active Targets

ingredient target8 Targets
01
ACHE
acetylcholinesterase (Cartwright blood group)
acetylcholinesterase (Cartwright blood group)
04
GABRA1
gamma-aminobutyric acid type A receptor subunit alpha1
gamma-aminobutyric acid type A receptor subunit alpha1
05
GRIA2
glutamate ionotropic receptor AMPA type subunit 2
glutamate ionotropic receptor AMPA type subunit 2
08
PTGS2
prostaglandin-endoperoxide synthase 2
prostaglandin-endoperoxide synthase 2