(Z)-Calacorene
PubChem CID: 91753138
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| Compound Synonyms | (Z)-Calacorene, LCROQSRTEMTLQQ-STQMWFEESA-N, Q67866085 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 238.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,4R)-1,6-dimethyl-4-propan-2-yl-1,4-dihydronaphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C15H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LCROQSRTEMTLQQ-STQMWFEESA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -5.303 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.133 |
| Compound Name | (Z)-Calacorene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 200.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.348615000000001 |
| Inchi | InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10,12-13H,1-4H3/t12-,13-/m0/s1 |
| Smiles | C[C@H]1C=C[C@H](C2=C1C=CC(=C2)C)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients