7-Hydroxy-3-(2-hydroxy-5-methoxyphenyl)chromen-4-one
PubChem CID: 5316794
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL9992779 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(2-hydroxy-5-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RKJOOKNTHXOANR-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.53 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.763 |
| Compound Name | 7-Hydroxy-3-(2-hydroxy-5-methoxyphenyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0737649238095233 |
| Inchi | InChI=1S/C16H12O5/c1-20-10-3-5-14(18)12(7-10)13-8-21-15-6-9(17)2-4-11(15)16(13)19/h2-8,17-18H,1H3 |
| Smiles | COC1=CC(=C(C=C1)O)C2=COC3=C(C2=O)C=CC(=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adiantum Sulphureum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lindera Umbellata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients