3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (Z,E)-
PubChem CID: 81323
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| Compound Synonyms | 32663-51-7, 3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one, 3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (Z,E)-, DTXSID10275782, DTXCID30227162, CAULGCQHVOVVRN-UHFFFAOYSA-N, AKOS030242668, (E,E)-Germacra-3,7(11),9-trien-6-one, trans,trans-3,7-Dimethyl-10-isopropylidene-3,7-cyclodecadien-1-one |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CAULGCQHVOVVRN-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (Z,E)- |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -3.3735079999999997 |
| Inchi | InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3 |
| Smiles | CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Germacrane sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients