1-[(3R,5S,9S,10R)-10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl]ethanone
PubChem CID: 23427059
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | 1-[(3R,5S,9S,10R)-10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl]ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YRDQPZFHCDPJPY-QOWREQOWSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.132 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.208 |
| Compound Name | 1-[(3R,5S,9S,10R)-10-hydroxy-6,9,10-trimethylspiro[4.5]dec-6-en-3-yl]ethanone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4931010000000002 |
| Inchi | InChI=1S/C15H24O2/c1-10-5-6-11(2)15(14(10,4)17)8-7-13(9-15)12(3)16/h6,10,13,17H,5,7-9H2,1-4H3/t10-,13+,14+,15-/m0/s1 |
| Smiles | C[C@H]1CC=C([C@]2([C@]1(C)O)CC[C@H](C2)C(=O)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Celastrus Scandens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eleutherococcus Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Isodon Flexicaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lespedeza Davidii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Saponaria Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Solanum Aethiopicum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Tectona Grandis (Plant) Rel Props:Source_db:cmaup_ingredients