(4R)-5-hydroxy-4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one
PubChem CID: 71533321
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL14774892 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 377.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-5-hydroxy-4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FWKRAEMBDHKHAF-GFCCVEGCSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.219 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.548 |
| Compound Name | (4R)-5-hydroxy-4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3926117428571425 |
| Inchi | InChI=1S/C16H14O5/c1-20-11-6-13(18)16-12(8-15(19)21-14(16)7-11)9-2-4-10(17)5-3-9/h2-7,12,17-18H,8H2,1H3/t12-/m1/s1 |
| Smiles | COC1=CC(=C2[C@H](CC(=O)OC2=C1)C3=CC=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Lysistemon (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Persicaria Perfoliata (Plant) Rel Props:Source_db:cmaup_ingredients