Cloven
PubChem CID: 11229486
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| Compound Synonyms | CLOVENE, Cloven, (-)-Clovene, (+)-clovene, 3a,7-Methano-3aH-cyclopentacyclooctene,1,4,5,6,7,8,9,9a-octahydro-1,1,7-trimethyl-,(3aR,7R,9aS)-, Q24844176 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | MKZIRHIVARSBHI-CFVMTHIKSA-N |
| Fcsp3 | 0.8666666666666667 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Compound Name | Cloven |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,5S,8R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-2-ene |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.7358134 |
| Inchi | InChI=1S/C15H24/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h9-10,12H,4-8,11H2,1-3H3/t12-,14+,15-/m0/s1 |
| Smiles | C[C@]12CCC[C@@]3(C1)C=CC([C@@H]3CC2)(C)C |
| Xlogp | 5.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H24 |
- 1. Outgoing r'ship
FOUND_INto/from Anchusa Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ligularia Clivorum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ligularia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ligularia Fischeri (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients