9-(3,4-dihydroxyphenyl)-7-hydroxy-6-methoxy-3H-benzo[f][2]benzofuran-1-one
PubChem CID: 163050137
Connections displayed (default: 10).
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| Topological Polar Surface Area | 96.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 510.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-(3,4-dihydroxyphenyl)-7-hydroxy-6-methoxy-3H-benzo[f][2]benzofuran-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NQBOMJLVTCBDBV-UHFFFAOYSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -4.31 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.598 |
| Compound Name | 9-(3,4-dihydroxyphenyl)-7-hydroxy-6-methoxy-3H-benzo[f][2]benzofuran-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 338.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.251053000000001 |
| Inchi | InChI=1S/C19H14O6/c1-24-16-6-10-4-11-8-25-19(23)18(11)17(12(10)7-15(16)22)9-2-3-13(20)14(21)5-9/h2-7,20-22H,8H2,1H3 |
| Smiles | COC1=CC2=CC3=C(C(=C2C=C1O)C4=CC(=C(C=C4)O)O)C(=O)OC3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euonymus Europaeus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ficus Conraui (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Vicia Balansae (Plant) Rel Props:Source_db:cmaup_ingredients