Oxyphyllanene F
PubChem CID: 57393408
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| Compound Synonyms | Oxyphyllanene F, CHEMBL1949799, (4aR)-7-(1,2-dihydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4aR)-7-(1,2-dihydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C15H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FPOORCYPPCUIJT-GICMACPYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.95 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.691 |
| Compound Name | Oxyphyllanene F |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 250.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 250.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7199955999999994 |
| Inchi | InChI=1S/C15H22O3/c1-10-12-8-11(15(3,18)9-16)4-6-14(12,2)7-5-13(10)17/h8,16,18H,4-7,9H2,1-3H3/t14-,15?/m1/s1 |
| Smiles | CC1=C2C=C(CC[C@@]2(CCC1=O)C)C(C)(CO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Oxyphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all