3-(4-Methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate
PubChem CID: 908827
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| Compound Synonyms | 3-(4-methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate, 13293-49-7, Formononetin-7-acetate, [3-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate, 7-(Acetyloxy)-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-methoxyphenyl)-, 7-O-acetylformononetin, 7-acetoxy-4'-methoxyisoflavone, CHEMBL463063, SCHEMBL2069145, DTXSID10927870, GGGJVAAAUYBGSQ-UHFFFAOYSA-N, STK924360, AKOS002219975, NCGC00304240-01, XF161756, VU0510520-1, AB01300753-01, F3139-2717, 3-(4-Methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl acetate, 7-(Acetyloxy)-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 7-O-Acetylformononetin, Formononetin 7-O-acetate |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 490.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GGGJVAAAUYBGSQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -4.296 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.706 |
| Compound Name | 3-(4-Methoxyphenyl)-4-oxo-4h-chromen-7-yl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.343973608695652 |
| Inchi | InChI=1S/C18H14O5/c1-11(19)23-14-7-8-15-17(9-14)22-10-16(18(15)20)12-3-5-13(21-2)6-4-12/h3-10H,1-2H3 |
| Smiles | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Wisteria Brachybotrys (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Wisteria Floribunda (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Wisteria Sinensis (Plant) Rel Props:Reference: