Kanshone H
PubChem CID: 86293425
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| Compound Synonyms | Kanshone H, 1445952-33-9, (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,6,7,7b-tetrahydrocyclopropa[a]naphthalen-2-one, AKOS040761942, FS-6885, DA-74720, HY-125949, CS-0103255, E80185, (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1aH,6H,7H,7bH-cyclopropa[a]naphthalen-2-one |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,6,7,7b-tetrahydrocyclopropa[a]naphthalen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BVLHCTFFMIUHGN-JWFUOXDNSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.84 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.651 |
| Compound Name | Kanshone H |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 216.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2602087999999996 |
| Inchi | InChI=1S/C15H20O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h5,7-9,12-13H,6H2,1-4H3/t9-,12-,13+,15+/m1/s1 |
| Smiles | C[C@@H]1CC=CC2=CC(=O)[C@@H]3[C@H]([C@@]12C)C3(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Scandens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Kopsia Albiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ribes Sanguineum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Stachys Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients