(-)-Aristolene
PubChem CID: 12309878
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| Compound Synonyms | (-)-Aristolene, 6831-16-9, (-)-9-Aristolene, 9-Aristolene, Aristolone, deoxo-, 9-Aristolene, (-)-, A7J872AJV5, DTXSID801317462, AKOS015914132, (1aR,7R,7aR,7bS)-1a,2,4,5,6,7,7a,7b-Octahydro-1,1,7,7a-tetramethyl-1H-cyclopropa[a]naphthalene, 1H-Cyclopropa[a]naphthalene, 1a,2,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-, 1H-Cyclopropa[a]naphthalene, 1a,2,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, [1aR-(1aalpha,7alpha,7aalpha,7balpha)]- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene |
| Prediction Hob | 0.0 |
| Xlogp | 4.7 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FOBXOZMHEKILEY-PBOSXPJTSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.437 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.653 |
| Compound Name | (-)-Aristolene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0428134 |
| Inchi | InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h8,10,12-13H,5-7,9H2,1-4H3/t10-,12-,13+,15+/m1/s1 |
| Smiles | C[C@@H]1CCCC2=CC[C@@H]3[C@H]([C@@]12C)C3(C)C |
| Nring | 3.0 |
| 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