Rhamnetin-3-olate
PubChem CID: 54758607
Connections displayed (default: 10).
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| Compound Synonyms | rhamnetin-3-olate, 7-methylquercetin-3-olate, CHEBI:192706 |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 503.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxochromen-3-olate |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C16H11O7- |
| Prediction Swissadme | 0.0 |
| Inchi Key | JGUZGNYPMHHYRK-UHFFFAOYSA-M |
| Fcsp3 | 0.0625 |
| Logs | -3.712 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.334 |
| Compound Name | Rhamnetin-3-olate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 315.05 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 315.05 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 315.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3806760086956524 |
| Inchi | InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3/p-1 |
| Smiles | COC1=CC(=C2C(=C1)OC(=C(C2=O)[O-])C3=CC(=C(C=C3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ancistrocladus Korupensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Biancaea Sappan (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Pygeum Topengii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Tetracera Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients