Amorphane
PubChem CID: 34540
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| Compound Synonyms | Amorphane, 13833-20-0, Muurolane, decahydro-1,6-dimethyl-4-(1-methylethyl)naphthalene, Muurolane-B, DTXSID00275099, FZZNNPQZDRVKLU-UHFFFAOYSA-N, 4-Isopropyl-1,6-dimethyldecahydronaphthalene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Description | Cadinene is the trivial chemical name of a number of isomeric hydrocarbons that occur in a wide variety of essential oil-producing plants. They all share the cadalane skeleton (4-isopropyl-1,6-dimethyldecahydronaphthalene) and can be further subdivided in: cadinenes, muurolene, amorphenes, and bulgarenes. According to the double bonds positions, they are also subdivided in alpha [e.g. 4,9-Cadinadiene], beta, gamma [e.g. 4,10(15)-Cadinadiene], delta [e.g. 1(10),4-Cadinadiene], epsilon, zeta 1 and zeta 2. Prominent stereo-isomers are: alpha-cadinene (FDB017447), gamma-cadinene (FDB017449), and delta-cadinene (FDB013710). Cadinene is found in many foods, some of which are lemon, sweet marjoram, peppermint, and cottonseed. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 206.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 6.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H28 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FZZNNPQZDRVKLU-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Synonyms | Cadinane |
| Compound Name | Amorphane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 208.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -4.953111799999999 |
| Inchi | InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3 |
| Smiles | CC1CCC2C(CCC(C2C1)C(C)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Source_db:fooddb_chem_all