2-Isopropenyl-6,10-dimethylspiro[4.5]deca-6,9-dien-8-one
PubChem CID: 539544
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Anhydro-.beta.-rotunol, JZRJXZHBHSDLDS-UHFFFAOYSA-N, 2-Isopropenyl-6,10-dimethylspiro[4.5]deca-6,9-dien-8-one #, InChI=1/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2(CCCC2)CC1 |
| Np Classifier Class | Germacrane sesquiterpenoids |
| Deep Smiles | O=CC=CC)CC=C6)C))CCCC5)C=C)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC1CCC2(CCCC2)CC1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 387.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]deca-6,9-dien-8-one |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H20O |
| Scaffold Graph Node Bond Level | O=C1C=CC2(C=C1)CCCC2 |
| Inchi Key | JZRJXZHBHSDLDS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | anhydro-beta-rotunol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC1=CC(=O)C=C(C)C1 |
| Compound Name | 2-Isopropenyl-6,10-dimethylspiro[4.5]deca-6,9-dien-8-one |
| Exact Mass | 216.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 216.32 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3 |
| Smiles | CC1=CC(=O)C=C(C12CCC(C2)C(=C)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729