Basic information
- CAS
79595-97-4- Standard SMILES
O=C1O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2c2c1cc(O)c(O)c2O- InChIKey
GDYGAIKPBLFCKR-YWQRSDGBSA-N- Molecular formula
- C13H14O9
- Average molar mass
- 314.24 g/mol
- Monoisotopic mass
- 314.06378202
Overview
Norbergenin has been reported in Peltophorum africanum, Mallotus japonicus, and other organisms with data available.
Names & identifiers
- Preferred name
- Norbergenin
- IUPAC
- (2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
- English name
- norbergenin
- Molecular formula
- C13H14O9
- Molecular weight
- 314.24
Names & synonyms
NorbergeninBS9UP8B38PDTXSID30229787Pyrano(3,2-c)(2)benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-, (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-RefChem:927892DTXCID80152278(2R,3S,4S,4aR,10bS)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano(3,2-c)isochromen-6-one79595-97-4(2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-oneNorbergenin?MFCD09970989UNII-BS9UP8B38P
Show more names
norbergenin, 10 mM in DMSO(2R)-3,4,4aα,10bβ-Tetrahydro-3β,4α,8,9,10-pentahydroxy-2α-(hydroxymethyl)pyrano[3,2-c][2]benzopyran-6(2H)-oneradical,norbergenin,antioxidant,Reactive Oxygen Species,bergenin,scavenging,inhibit,Inhibitor,derivative,superoxidePyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-, (2R,3S,4S,4aR,10bS)-
CHEMBL463164Q7050291(2S,3R,4R,4aS,10bR)-3,4,8,9,10-Pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydropyrano[3,2-c][2]benzopyran-6(2H)-one
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Melting point
- 248 · 248-249 °C
- Boiling point
- 705.9 · 705.9±60.0 °C(Predicted)
- Density
- 1.799 · 1.799±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- form
- Solid
- pka
- 7.63 · 7.63±0.70(Predicted)
- color
- White to yellow
- FDA UNII
- 9 UP8B38P · BS9UP8B38P
Chemistry & industry
Applications
UsesNorbergenin, the O-demethyl derivative of bergenin, shows moderate antioxidant activity (IC50 13 μM in DPPH radical scavenging; 32 μM in superoxide anion scavenging)[1].
Suppliers39 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [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]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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