(8R)-8-hydroxy-2-nonyl-5,6,7,8-tetrahydrochromen-4-one
PubChem CID: 162879351
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8R)-8-hydroxy-2-nonyl-5,6,7,8-tetrahydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Molecular Formula | C18H28O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UCVKCMREOJPPIO-MRXNPFEDSA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -3.952 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.685 |
| Compound Name | (8R)-8-hydroxy-2-nonyl-5,6,7,8-tetrahydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 292.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1445263714285714 |
| Inchi | InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-10-14-13-17(20)15-11-9-12-16(19)18(15)21-14/h13,16,19H,2-12H2,1H3/t16-/m1/s1 |
| Smiles | CCCCCCCCCC1=CC(=O)C2=C(O1)[C@@H](CCC2)O |
| Nring | 2.0 |
| 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