(4R)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
PubChem CID: 71533319
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL14774710 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GHTMZKMSGXXDAX-CYBMUJFWSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.285 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.986 |
| Compound Name | (4R)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.595958363636364 |
| Inchi | InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)13-9-16(19)22-15-8-12(21-2)7-14(18)17(13)15/h3-8,13,18H,9H2,1-2H3/t13-/m1/s1 |
| Smiles | COC1=CC=C(C=C1)[C@H]2CC(=O)OC3=CC(=CC(=C23)O)OC |
| 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