Longifolin
PubChem CID: 5372204
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| Compound Synonyms | Longifolin, 39007-94-8, 3-methyl-2-[(E)-3-methyl-4-(4-methylfuran-2-yl)but-2-enyl]furan, 4-methyl-2-[(E)-2-methyl-4-(3-methyl-2-furyl)but-2-enyl]furan, (E)-3-methyl-2-(3-methyl-4-(4-methylfuran-2-yl)but-2-en-1-yl)furan, Furan, 3-methyl-2-((2E)-3-methyl-4-(4-methyl-2-furanyl)-2-buten-1-yl)-, 3-methyl-2-((E)-3-methyl-4-(4-methylfuran-2-yl)but-2-enyl)furan, SCHEMBL2548967, HY-117125, 3-Methyl-2-[(2E)-3-methyl-4-(4-methyl-2-furyl)-2-butenyl]furan # |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-2-[(E)-3-methyl-4-(4-methylfuran-2-yl)but-2-enyl]furan |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C15H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KATZGWUZXSGURX-NYYWCZLTSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.63 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.26 |
| Compound Name | Longifolin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 230.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 230.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.173397517647058 |
| Inchi | InChI=1S/C15H18O2/c1-11(8-14-9-12(2)10-17-14)4-5-15-13(3)6-7-16-15/h4,6-7,9-10H,5,8H2,1-3H3/b11-4+ |
| Smiles | CC1=C(OC=C1)C/C=C(\C)/CC2=CC(=CO2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Marsilea Quadrifolia (Plant) Rel Props:Source_db:cmaup_ingredients