(8R)-8-hydroxy-2-(6-phenylhexyl)-5,6,7,8-tetrahydrochromen-4-one
PubChem CID: 163087157
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 497.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8R)-8-hydroxy-2-(6-phenylhexyl)-5,6,7,8-tetrahydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.3 |
| Molecular Formula | C21H26O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XHSZGHYQJFZVDN-LJQANCHMSA-N |
| Fcsp3 | 0.4761904761904761 |
| Logs | -4.605 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.268 |
| Compound Name | (8R)-8-hydroxy-2-(6-phenylhexyl)-5,6,7,8-tetrahydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4477032 |
| Inchi | InChI=1S/C21H26O3/c22-19-14-8-13-18-20(23)15-17(24-21(18)19)12-7-2-1-4-9-16-10-5-3-6-11-16/h3,5-6,10-11,15,19,22H,1-2,4,7-9,12-14H2/t19-/m1/s1 |
| Smiles | C1C[C@H](C2=C(C1)C(=O)C=C(O2)CCCCCCC3=CC=CC=C3)O |
| Nring | 4.0 |
| 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