Compound Description
| ID: C0644 | Common name: Amarogentin |
| IUPAC: [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate | CAS: CAS:21018-84-8 |
| Chembl ID: NA | Pubchem ID: CID:115149 |
| Formula: C29H30O13 | TCM-ID: TCMC3410 |
| Smiles: OC[C@H]1O[C@@H](O[C@@H]2[O]=CC3=C([O-])OCC[C@H]3[C@H]2C=C)[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c(O)cc(cc1c1cccc(c1)O)O | |
| Alias:
Amarogentin;
[1,1'-Biphenyl]-2-carboxylic acid, 3,3',5-trihydroxy-, 2-ester with 5-ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one, [4aS-(4aα,5β,6α)]-; (4aS,5R,6S)-5-Ethenyl-4,4a,5,6-tetrahydro-6-[[2-O-[(3,3',5-trihydroxy[1,1'-biphenyl]-2-yl)carbonyl]-β-D-glucopyranosyl]oxy]-1H,3H-pyrano[3,4-c]pyran-1-one; 1H,3H-Pyrano[3,4-c]pyran, [1,1'-biphenyl]-2-carboxylic acid deriv.; 1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-[[2-O-[(3,3',5-trihydroxy[1,1'-biphenyl]-2-yl)carbonyl]-β-D-glucopyranosyl]oxy]-, [4aS-(4aα,5β,6α)]- |
Structure:
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Related Targets (Total: 6)
| Target id | Protein Name | Gene Symbol | Uniprot ID | Target Level | No.of Literature Evidence |
|---|---|---|---|---|---|
| T04AY9 | Secreted frizzled-related protein 1 | SFRP1 |
Q8N474 |
A | 1 Reference(s) |
| T62OED | Secreted frizzled-related protein 2 | SFRP2 |
Q96HF1 |
A | 1 Reference(s) |
| T68NCI | Aldo-keto reductase family 1 member B1 | AKR1B1 |
P15121 |
A | 1 Reference(s) |
| T92BZ2 | Catenin beta-1 | CTNNB1 |
P35222 |
A | 1 Reference(s) |
| T94H37 | Cadherin-1 | CDH1 |
P12830 |
C | 1 Reference(s) |
| T43N2D | Epidermal growth factor receptor | EGFR |
P00533 |
C | 1 Reference(s) |
*In this table, target level represents the quality confidence indicators of targets.
Level 'A' represents "Directly inhibit/activate".
Level 'B' represents "Indirectly inhibit/ activate", "Enzyme substate" and "Enzyme product".
Level 'C' represents "Up/Down regulation" and "Others".
Level 'A' represents "Directly inhibit/activate".
Level 'B' represents "Indirectly inhibit/ activate", "Enzyme substate" and "Enzyme product".
Level 'C' represents "Up/Down regulation" and "Others".
Related Herbs (Total: 3)
Ckey description of the interaction between compound and target