3,6,10-Trimethyl-4H,7H,8H,11H-cyclodeca[B]furan
PubChem CID: 171597
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| Compound Synonyms | Isofuranodiene, Furanodiene, 57566-47-9, 3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan, 3,6,10-TRIMETHYL-4H,7H,8H,11H-CYCLODECA[B]FURAN, 19912-61-9, HCA56647 |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VMDXHYHOJPKFEK-UHFFFAOYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -4.965 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.39 |
| Compound Name | 3,6,10-Trimethyl-4H,7H,8H,11H-cyclodeca[B]furan |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 216.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.7308588 |
| Inchi | InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3 |
| Smiles | CC1=CCC2=C(CC(=CCC1)C)OC=C2C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Germacrane sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Chloranthus Serratus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Siphonostegia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all