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Ingredients

Acacetin-7-o-beta-d-galactopyranoside

C22H22O10

Entity Type
Ingredients
Relation Groups
2
Relation Preview
8

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Acacetin-7-o-beta-d-galactopyranoside
Molecular Formula
C22H22O10
Molecular Weight
No data
Canonical SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O
Isomeric SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19+,20+,21-,22-/m1/s1
Oral Bioavailability
50.193
Drug Likeness
0.370
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 target5 Targets
04
PIM1
Pim-1 proto-oncogene, serine/threonine kinase
Pim-1 proto-oncogene, serine/threonine kinase
05
PTGS2
prostaglandin-endoperoxide synthase 2
prostaglandin-endoperoxide synthase 2