6-Hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one
PubChem CID: 73212506
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| Compound Synonyms | CHEMBL3105397, 6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C17H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AFACAVFCDGVGIB-UHFFFAOYSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -4.355 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.067 |
| Compound Name | 6-Hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 254.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.194013484210526 |
| Inchi | InChI=1S/C17H18O2/c1-10-8-11-4-6-14-12(13(11)9-15(10)18)5-7-16(19)17(14,2)3/h4,6,8-9,18H,5,7H2,1-3H3 |
| Smiles | CC1=CC2=C(C=C1O)C3=C(C=C2)C(C(=O)CC3)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Flueggea Virosa (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Nasturtium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients