HuagongsheHuagongshe Chemistry Print Report · For research reference only
Narcissin
narcissoside · ISORHAMNETIN-3-O-RUTINOSIDE · NARCISSIN · NARCISIN · Isorhamnetin-3-O-β-D-rutinoside · isorhaMnetin 3-O-β-D-rutinoside · Aids089289 · Aids-089289
Identifiers & Physical Properties
| CAS No. | 604-80-8 |
|---|---|
| Molecular formula | C28H32O16 |
| Average molar mass | 624.5 g/mol |
| Monoisotopic mass | 624.16903493 g/mol |
| SMILES | COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |
| InChIKey | UIDGLYUNOUKLBM-GEBJFKNCSA-N |
| PubChem CID | 5481663 |
| ChEMBL | CHEMBL258394 |
| ChEBI | CHEBI:145096 |
| EC No. | 805-229-7 |
| DTXSID | DTXSID00209157 |
Chemical & Physical Properties
| XLogP | -1 |
|---|---|
| Topological polar surface area | 255 |
| Hydrogen bond donors | 9 |
| Hydrogen bond acceptors | 16 |
| Rotatable bonds | 7 |
| Heavy atoms | 44 |
| Formal charge | 0 |
| Complexity | 1,040 |
| Melting point | 182-184°C |
| Boiling point | 953.1±65.0 °C(Predicted) |
| Density | 1.74 |
| Storage conditions | 2-8°C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | 6.17±0.40(Predicted) |
| Physical state | powder |
| Color | Yellow |
| Major applications | metabolomicsvitamins, nutraceuticals, and natural products |
| InChIKey | UIDGLYUNOUKLBM-MCZPZOQCNA-N |
| SMILES | O[C@@H]([C@H](CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O1)O2)[C@@H](O)[C@H](O)[C@H]2OC3=C(C4=CC=C(O)C(OC)=C4)OC5=CC(O)=CC(O)=C5C3=O |
| CAS DataBase Reference | 604-80-8 |
| FDA UNII | N4AX11L1TF |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Safety statements (S) | 24/25 |
| Water hazard class (WGK) | WGK 3 |
| Customs code | 29389090 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedAggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Water hazard class (WGK) | WGK 3 |
| Customs code | 29389090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 24/25 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
Narcissoside is a flavonoid from Nitraria tangutorum. Narcissoside may have antiproliferative activity in human colon cancer cell line (HT29).