Furanofukinin
PubChem CID: 78385403
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| Compound Synonyms | Furanofukinin, Petasalbin methyl ether, 6b-Methoxyfuranoeremophilane, 6beta-Methoxyfuranoeremophilane, 4-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo(f)(1)benzofuran, 4-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran, CHEBI:168175, 4-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran |
|---|---|
| Topological Polar Surface Area | 22.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Description | Constituent of Petasites japonicus (sweet coltsfoot). Furanofukinin is found in giant butterbur and green vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 4.2 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C16H24O2 |
| Inchi Key | JRLLKNNCOWNIBL-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 6b-Methoxyfuranoeremophilane, 6beta-Methoxyfuranoeremophilane, Furanofukinin, Petasalbin methyl ether |
| Compound Name | Furanofukinin |
| Kingdom | Organic compounds |
| Exact Mass | 248.178 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 248.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 248.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C16H24O2/c1-10-9-18-13-8-12-7-5-6-11(2)16(12,3)15(17-4)14(10)13/h9,11-12,15H,5-8H2,1-4H3 |
| Smiles | CC1CCCC2C1(C(C3=C(C2)OC=C3C)OC)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Petasites Japonicus (Plant) Rel Props:Source_db:fooddb_chem_all