Basic information
- CAS
14259-47-3- Standard SMILES
COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2)cc1- InChIKey
RMCRQBAILCLJGU-UHFFFAOYSA-N- Molecular formula
- C28H34O14
- Average molar mass
- 594.6 g/mol
- Monoisotopic mass
- 594.19485575
Overview
Isosakuranetin 7-O-rutinoside has been reported in Citrus reticulata, Monarda didyma, and other organisms with data available.
Names & identifiers
- Preferred name
- Isosakuranetin 7-O-rutinoside
- IUPAC
- 5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
- English name
- DIDYMIN
- Molecular formula
- C28H34O14
- Molecular weight
- 594.56
Names & synonyms
Isosakuranetin 7-O-rutinosideRefChem:10878225-hydroxy-2-(4-methoxyphenyl)-7-(3,4,5-trihydroxy-6-((3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-oneNeopoucirinDidymin [M+H]+4'-Methoxy-5,7-dihydroxyflavanone-7-O-rutinosides9235NS00053832(S)-5,7-Dihydroxy-4'-methoxyflavanone-7-|A-rutinosideNEOPONCIRINISOSAKURANETIN-7-O-RUTINOSIDENeoponcirin (DidyMin)
Show more names
DIDYMINDidymineAids089294Didymin-RMAids-089294DIDYMIN hplcDidymin (8CI)
Database identifiers
- CAS
14259-47-3- PubChem CID
- 85705
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 900
Experimental & physicochemical properties
Melting Point211 - 213 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 211 · 211-213°C
- Boiling point
- 896.6 · 896.6±65.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly, Heated, Sonicated)
- pka
- 7.17 · 7.17±0.40(Predicted)
- form
- Solid
- color
- White to Pale Beige
- BRN
- 1361217 · 1361217
- Stability
- Hygroscopic
- InChIKey
- RMCRQBAILCLJGU-XWYJLLMHNA-N
- SMILES
- COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- wgk
- 3
- hs_code
- 29389090
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesNeoponcirin is a flavonoid that was shown to exhibit anticancer properties by inducing apoptosis by inhibiting N-Myc and upregulating RKIP in neuroblastoma.
Suppliers100 total
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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