4-Hydroxy-9-(4-methylpent-3-enyl)furo[3,2-g]chromen-7-one
PubChem CID: 162883067
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| Topological Polar Surface Area | 59.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 463.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-9-(4-methylpent-3-enyl)furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C17H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DMKYEHHXGYNLJT-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.046 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.156 |
| Compound Name | 4-Hydroxy-9-(4-methylpent-3-enyl)furo[3,2-g]chromen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4315234380952386 |
| Inchi | InChI=1S/C17H16O4/c1-10(2)4-3-5-13-16-12(8-9-20-16)15(19)11-6-7-14(18)21-17(11)13/h4,6-9,19H,3,5H2,1-2H3 |
| Smiles | CC(=CCCC1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients