5,7-Dihydroxy-2-(6-phenylhexyl)chromen-4-one
PubChem CID: 101219429
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 467.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(6-phenylhexyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.7 |
| Molecular Formula | C21H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FLHVQRQJWZFNJO-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.467 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.861 |
| Compound Name | 5,7-Dihydroxy-2-(6-phenylhexyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.973698600000001 |
| Inchi | InChI=1S/C21H22O4/c22-16-12-18(23)21-19(24)14-17(25-20(21)13-16)11-7-2-1-4-8-15-9-5-3-6-10-15/h3,5-6,9-10,12-14,22-23H,1-2,4,7-8,11H2 |
| Smiles | C1=CC=C(C=C1)CCCCCCC2=CC(=O)C3=C(C=C(C=C3O2)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidoscolus Texanus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Diospyros Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Flaveria Bidentis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hymenaea Oblongifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lespedeza Cyrtobotrya (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ptelea Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Sansevieria Ehrenbergii (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Teucrium Fragile (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Trichilia Dregeana (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Uvaria Ferruginea (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Veronica Anagallis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Veronica Anagallis-Aquatica (Plant) Rel Props:Source_db:cmaup_ingredients