(2Z)-2-benzylidene-4,5,6-trihydroxy-1-benzofuran-3-one
PubChem CID: 5322048
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| Compound Synonyms | SCHEMBL13090724 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 412.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z)-2-benzylidene-4,5,6-trihydroxy-1-benzofuran-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DYDUQRQYDQHKJU-WDZFZDKYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.219 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.989 |
| Compound Name | (2Z)-2-benzylidene-4,5,6-trihydroxy-1-benzofuran-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 270.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.833888 |
| Inchi | InChI=1S/C15H10O5/c16-9-7-10-12(15(19)13(9)17)14(18)11(20-10)6-8-4-2-1-3-5-8/h1-7,16-17,19H/b11-6- |
| Smiles | C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C(=C3O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Boschniakia Rossica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients