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:

Related Targets  (Total: 6)

Target idProtein NameGene SymbolUniprot IDTarget LevelNo.of Literature Evidence
T04AY9 Secreted frizzled-related protein 1SFRP1 Q8N474
A 1 Reference(s)
T62OED Secreted frizzled-related protein 2SFRP2 Q96HF1
A 1 Reference(s)
T68NCI Aldo-keto reductase family 1 member B1AKR1B1 P15121
A 1 Reference(s)
T92BZ2 Catenin beta-1CTNNB1 P35222
A 1 Reference(s)
T94H37 Cadherin-1CDH1 P12830
C 1 Reference(s)
T43N2D Epidermal growth factor receptorEGFR 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".

Related Herbs  (Total: 3)

Herb idChinese Pin YinChinese CharacterEnglish NameLatin Name
H1245 Bai Qian白前 Cynanchum rootCynanchum stauntonii
H0162 Long Dan龙胆 Rough gentianGentiana scabra
H0961 Dang Yao当药 Chinese swertiaSwertia chinensis