(+)-beta-Funebrene
PubChem CID: 91750491
Connections displayed (default: 10).
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| Compound Synonyms | (+)-.beta.-Funebrene, DYLPEFGBWGEFBB-HCHQLJBOSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,5S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DYLPEFGBWGEFBB-HCHQLJBOSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.519 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.823 |
| Compound Name | (+)-beta-Funebrene |
| 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 | -4.1625134 |
| Inchi | InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12?,13+,15-/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2[C@@]13CCC(=C)C(C3)C2(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients