Kaempferide(1-)
PubChem CID: 25201489
Connections displayed (default: 10).
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| Compound Synonyms | kaempferide(1-), kaempferide anion, CHEBI:58925, Q27126348, 5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-3-olate, 5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-olate |
|---|---|
| Topological Polar Surface Area | 99.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 465.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-3-olate |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C16H11O6- |
| Prediction Swissadme | 0.0 |
| Inchi Key | SQFSKOYWJBQGKQ-UHFFFAOYSA-M |
| Fcsp3 | 0.0625 |
| Logs | -3.648 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.557 |
| Compound Name | Kaempferide(1-) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 299.056 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 299.056 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 299.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.531681418181818 |
| Inchi | InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3/p-1 |
| Smiles | COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)[O-] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Humulus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Kadsura Peltigera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Piper Kadsura (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Sedum Lineare (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sedum Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Tamarix Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients