gamma-Selinene
PubChem CID: 521334
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| Compound Synonyms | gamma-Selinene, Eudesma-4(14),7(11)-diene, Eudesma-4(15),7(11)-diene, Selina-4(14),7(11)-diene, g-Selinene, (4aR,8aS)-4a-Methyl-1-methylene-7-(propan-2-ylidene)decahydronaphthalene, 4(15),7(11)-Selinadiene, CHEBI:167347, RMZHSBMIZBMVMN-UHFFFAOYSA-N, 8a-methyl-4-methylidene-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene, 4a-methyl-1-methylidene-7-(propan-2-ylidene)-decahydronaphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethylidene) naphthalene, Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)-, (4aR,8aS)-, Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethylidene)-, trans- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Description | Constituent of essential oil of hops (Humulus lupulus). gamma-Selinene is found in many foods, some of which are ginger, alcoholic beverages, wild celery, and lime. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 304.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8a-methyl-4-methylidene-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 4.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RMZHSBMIZBMVMN-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Rotatable Bond Count | 0.0 |
| Synonyms | 4(15),7(11)-Selinadiene, Eudesma-4(14),7(11)-diene, Eudesma-4(15),7(11)-diene, g-Selinene, Selina-4(14),7(11)-diene, Selina-4(15),7(11)-diene, Γ-selinene |
| Compound Name | gamma-Selinene |
| Kingdom | Organic compounds |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -4.055413399999999 |
| Inchi | InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3 |
| Smiles | CC(=C1CCC2(CCCC(=C)C2C1)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Aurantiifolia (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all