Basic information
- CAS
145134-61-8- Standard SMILES
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12- InChIKey
DIYGQKBUNSAYQA-CZTZGLBASA-N- Molecular formula
- C21H20O12
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 464.09547607
Overview
6-Hydroxykaempferol 3-glucoside has been reported in Carthamus tinctorius with data available.
Names & identifiers
- Preferred name
- 6-Hydroxykaempferol 3-glucoside
- IUPAC
- 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- English name
- 6-Hydroxykaempferol 3-O-β-D-glucoside
- Molecular formula
- C21H20O12
- Molecular weight
- 464.38
Names & synonyms
145134-61-86-Hydroxykaempferol 3-glucoside5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:1047965,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-((2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneScutellarein 3-O-glucoside6-Hydroxykaempferol 3-O-beta-D-glucoside5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one6-Hydroxykaempferol 3-O-|A-D-glucoside6-hydroxykaempferol-3-o-glucoside
Show more names
6-Hydroxykaempferol 3-O-β-D-glucoside6-Hydroxykaempferol 3-O-β-D-glucoside6-Hydroxykaempferol-3-O-β-D-glucopyranoside4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 750
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Boiling point
- 894.7 · 894.7±65.0 °C(Predicted)
- Density
- 1.87 · 1.87±0.1 g/cm3(Predicted)
- pka
- 6.01 · 6.01±0.40(Predicted)
- form
- Solid
- color
- White to yellow
Chemistry & industry
Applications
Uses6-Hydroxykaempferol 3-O-β-D-glucoside possesses anticancer activity and induces apoptosis[1].
Suppliers38 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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