Furanojaponin
PubChem CID: 131751918
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| Compound Synonyms | Furanojaponin |
|---|---|
| Topological Polar Surface Area | 39.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Description | Constituent of Petasites japonicus (sweet coltsfoot). Furanojaponin is found in giant butterbur and green vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 497.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-7-yl) (E)-2-methylbut-2-enoate |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 5.0 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C20H28O3 |
| Inchi Key | DDJITDJHDCLHOK-WUXMJOGZSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | Furanojaponin, 3,4a,5-Trimethyl-4H,4ah,5H,6H,7H,8H,8ah,9H-naphtho[2,3-b]furan-7-yl (2E)-2-methylbut-2-enoic acid |
| Compound Name | Furanojaponin |
| Kingdom | Organic compounds |
| Exact Mass | 316.204 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 316.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 316.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C20H28O3/c1-6-12(2)19(21)23-16-7-14(4)20(5)10-17-13(3)11-22-18(17)9-15(20)8-16/h6,11,14-16H,7-10H2,1-5H3/b12-6+ |
| Smiles | C/C=C(\C)/C(=O)OC1CC(C2(CC3=C(CC2C1)OC=C3C)C)C |
| Defined Bond Stereocenter Count | 1.0 |
| 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