Basic information
- CAS
70815-32-6- Standard SMILES
COc1cc([C@H]2Oc3ccc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)cc3O[C@@H]2CO)ccc1O- InChIKey
CRPGUMMYQABYES-DNVKUUNQSA-N- Molecular formula
- C25H22O9
- Average molar mass
- 466.4 g/mol
- Monoisotopic mass
- 466.12638228
Overview
Silandrin is a flavonolignan isolated from milk thistle, Silybum marianum, and has been shown to exhibit hepatoprotective activity. It has a role as a metabolite and a hepatoprotective agent. It is a polyphenol, an aromatic ether, a benzodioxine and a flavonolignan.
Names & identifiers
- Preferred name
- (2S)-2-((2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
- IUPAC
- (2S)-5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
- English name
- Silandrin
- Molecular formula
- C25H22O9
- Molecular weight
- 466.44
Names & synonyms
Silandrin70815-32-6CHEBI:9138DTXSID60331605(2S)-5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one(2S)-5,7-dihydroxy-2-((2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-oneRefChem:1049932DTXCID70282699(2S)-2-((2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-oneSilandrin hplc(-)-silandrinC08600
Show more names
SCHEMBL29369285LMPK12140414(2S)-2alpha-[[(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin]-6-yl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-oneFS137963Q27108288(2S)-5,7-Dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-1-benzopyran-4-one(2S)-5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one
Database identifiers
- CAS
70815-32-6- PubChem CID
- 441663
- DTXSID
DTXSID60331605- ChEBI
CHEBI:9138- Nikkaji
- J1.382.207G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 718
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
Chemistry & industry
Suppliers3 total
Apin Chemicals Limited (UK)[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
3B Scientific Corporation[email protected]
Additional notes
DefinitionChEBI: A flavonolignan isolated from milk thistle, Silybum marianum, and has been shown to exhibit hepatoprotective activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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