1,3,5,6-Tetrahydroxy-4-(4-methylpent-4-enyl)xanthen-9-one
PubChem CID: 162818437
Connections displayed (default: 10).
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| Topological Polar Surface Area | 107.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,5,6-tetrahydroxy-4-(4-methylpent-4-enyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IBKFXCFBLZDABS-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -0.821 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.798 |
| Compound Name | 1,3,5,6-Tetrahydroxy-4-(4-methylpent-4-enyl)xanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.3700513999999995 |
| Inchi | InChI=1S/C19H18O6/c1-9(2)4-3-5-10-13(21)8-14(22)15-16(23)11-6-7-12(20)17(24)19(11)25-18(10)15/h6-8,20-22,24H,1,3-5H2,2H3 |
| Smiles | CC(=C)CCCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C=C3)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients