Mustakone
PubChem CID: 12313013
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| Compound Synonyms | Mustakone, 1209-91-2, 8-Isopropyl-1,5-dimethyltricyclo[4.4.0.02,7]dec-4-en-3-one, Tricyclo[4.4.0.02,7]dec-4-en-3-one, 8-isopropyl-1,5-dimethyl-, 1,5-DIMETHYL-8-PROPAN-2-YLTRICYCLO[4.4.0.02,7]DEC-4-EN-3-ONE, Tricyclo[4.4.0.02,7]dec-4-en-3-one, 1,5-dimethyl-8-(1-methylethyl)-, stereoisomer, CHEBI:66416, 1,5-dimethyl-8-propan-2-yltricyclo(4.4.0.02,7)dec-4-en-3-one, 8-Isopropyl-1,5-dimethyltricyclo(4.4.0.02,7)dec-4-en-3-one, Tricyclo(4.4.0.02,7)dec-4-en-3-one, 8-isopropyl-1,5-dimethyl-, Tricyclo(4.4.0.02,7)dec-4-en-3-one, 1,5-dimethyl-8-(1-methylethyl)-, stereoisomer, DTXSID501318673, (8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-one |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Description | Constituent of Cyperus rotundus (nutgrass). Mustakone is found in root vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CTFSUCDHRVDRKG-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 1.0 |
| Synonyms | Mustakone |
| Compound Name | Mustakone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -3.2760080000000005 |
| Inchi | InChI=1S/C15H22O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10,12-14H,5-6H2,1-4H3 |
| Smiles | CC1=CC(=O)C2C3C1C2(CCC3C(C)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all