(z)-7-Hydroxy-6-(3'-hydroxy-3'-methyl-1-butenyl)-coumarin
PubChem CID: 88813365
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL11662703, (z)-7-hydroxy-6-(3'-hydroxy-3'-methyl-1-butenyl)-coumarin |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 383.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-6-[(Z)-3-hydroxy-3-methylbut-1-enyl]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C14H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WXVMDKWVJWQTEJ-WAYWQWQTSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -2.656 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.725 |
| Compound Name | (z)-7-Hydroxy-6-(3'-hydroxy-3'-methyl-1-butenyl)-coumarin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 246.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.778235511111111 |
| Inchi | InChI=1S/C14H14O4/c1-14(2,17)6-5-9-7-10-3-4-13(16)18-12(10)8-11(9)15/h3-8,15,17H,1-2H3/b6-5- |
| Smiles | CC(C)(/C=C\C1=C(C=C2C(=C1)C=CC(=O)O2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Boenninghausenia Albiflora (Plant) Rel Props:Source_db:cmaup_ingredients