alpha-Humulen
PubChem CID: 24798693
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| Compound Synonyms | alpha-Humulen, humula-1(11),4,8-triene, CHEBI:49311, Q27121615, (1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 287.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FAMPSKZZVDUYOS-HYXCZMNISA-N |
| Fcsp3 | 0.6 |
| Logs | -4.309 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.426 |
| Compound Name | alpha-Humulen |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.9735134 |
| Inchi | InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6-,13-7-,14-10+ |
| Smiles | C/C/1=C\CC(/C=C\C/C(=C\CC1)/C)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients