bergenin
chemical compound
Facts
8 properties- Instance of
- type of chemical entity
- Subclass of
- (3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one[4]
- Canonical SMILES
- COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O[2]
- Chemical formula
- C₁₄H₁₆O₉[3]
- Found in taxon
- Bergenia stracheyi, Bergenia ligulata, Ficus microcarpa, Ficus racemosa, Mallotus repandus, Flueggea virosa, Ardisia crenata, Ardisia japonica, Astilbe chinensis, Astilbe thunbergii, Bergenia purpurascens, Cuscuta lehmanniana, Dipterocarpus grandiflorus, Dorstenia prorepens, Hopea utilis, Mallotus japonicus, Mallotus philippinensis, Peltophorum africanum, Peltophorum pterocarpum, Phyllanthus flexuosus, Saxifraga stolonifera, Tridax procumbens, Vateria indica, Vatica pauciflora, Brachystemma calycinum, Pulicaria wightiana, Rodgersia sambucifolia, Glochidion zeylanicum, Moullava digyna, Ardisia colorata, Actaea elata, Astilbe rubra, Bergenia pacumbis[5][6][7][8][9][10][11][12]
- Isomeric SMILES
- COC1=C(C=C2C(=C1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O)O
- Mass
- +328.079
- Stereoisomer of
- (2R,3R,4S,4aR,10bR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one, (2S,3R,4R,4aS,10bR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one, (2R,3S,4S,4aS,10bR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one, (2R,3R,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
🏷️ Also known as
en (2R,3S,4S,4aR,10bS)-3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one
en bergenin
en Cuscutin
fa برژنین
it bergenina
ja ベルゲニン
ko 베르제닌
zh 岩白菜素
🔖 Identifiers · 24
- OpenAlex ID
- C2776106610
- CAS Registry Number
- 477-90-7
- ChEBI ID
- 69499
- ChEMBL ID
- CHEMBL273019
- ChemSpider ID
- 59455
- CosIng number
- 83644
- DSSTOX compound identifier
- DTXCID0028113
- DSSTox substance ID
- DTXSID4048141
- EC number
- 803-760-9
- ECHA Substance Infocard ID
- 100.230.534
- Freebase ID
- /m/0dgrn5_
Show all 24 identifiers +12
- InChIKey
- YWJXCIXBAKGUKZ-HJJNZUOJSA-N
- KEGG ID
- D01040
- KNApSAcK ID
- C00002981
- MassBank accession ID
- MSBNK-Univ_Toyama-TY000078, MSBNK-Univ_Toyama-TY000120
- Microsoft Academic ID (discontinued)
- 2776106610
- Probes And Drugs ID
- PD001569
- PubChem CID
- 66065
- SureChEMBL ID
- 893721
- UNII
- L84RBE4IDC
- UniChem compound ID
- 235281
🔗 Connections
Found in taxon 28
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Summary
bergenin is a type of chemical entity[1].