(-)-Chrysanthenone
PubChem CID: 12303211
Connections displayed (default: 10).
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| Compound Synonyms | (-)-Chrysanthenone, Chrysanthenone, (-)-, UNII-TW9X9FD433, 58437-73-3, TW9X9FD433, Bicyclo(3.1.1)hept-2-en-6-one, 2,7,7-trimethyl-, (1R,5S)-, DTXSID60486649, Q27290462 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 248.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,5S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IECBDTGWSQNQID-SFYZADRCSA-N |
| Fcsp3 | 0.7 |
| Logs | -3.686 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.71 |
| Compound Name | (-)-Chrysanthenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8486701999999997 |
| Inchi | InChI=1S/C10H14O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1 |
| Smiles | CC1=CC[C@@H]2C(=O)[C@H]1C2(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients