Platambin-1,6-dione
PubChem CID: 579650
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| Compound Synonyms | Platambin-1,6-dione, GNOBKKNJWOFLHO-UHFFFAOYSA-N, 2-Isopropyl-4a-methyl-8-methyleneoctahydro-1,5-naphthalenedione # |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 380.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4a-methyl-8-methylidene-2-propan-2-yl-2,3,4,6,7,8a-hexahydronaphthalene-1,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GNOBKKNJWOFLHO-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -2.435 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.301 |
| Compound Name | Platambin-1,6-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7011018 |
| Inchi | InChI=1S/C15H22O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11,13H,3,5-8H2,1-2,4H3 |
| Smiles | CC(C)C1CCC2(C(C1=O)C(=C)CCC2=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients