Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-
PubChem CID: 10534
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| Compound Synonyms | .beta.-Santalene, Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, EINECS 208-130-1, Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-, b-Santalene, (-)-epi-beta-santalene, (+)-Epi-beta-Santalene, UNII-RG725C564C, 2-Methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane #, Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-endo)- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Description | Constituent from oil of the famine food Santalum album (sandalwood). Flavouring ingredient. beta-Santalene is found in sweet basil and cereals and cereal products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 5.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PGBNIHXXFQBCPU-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.857 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.123 |
| Synonyms | (-)-&beta, -santalene, &beta, -santalene, b-Santalene, (-)-beta-Santalene, (-)-b-Santalene, (-)-Β-santalene, Β-santalene |
| Compound Name | Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)- |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -4.808713399999999 |
| Inchi | InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3 |
| Smiles | CC(=CCCC1(C2CCC(C2)C1=C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Camphora (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Echinops Grijsii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients