(3R)-3-(2,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2,3-dihydrochromen-5-olate
PubChem CID: 25200813
Connections displayed (default: 10).
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| Topological Polar Surface Area | 88.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-(2,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2,3-dihydrochromen-5-olate |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H15O6- |
| Prediction Swissadme | 0.0 |
| Inchi Key | LMLDNMHDNFCNCW-LBPRGKRZSA-M |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.951 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.767 |
| Compound Name | (3R)-3-(2,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2,3-dihydrochromen-5-olate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 315.087 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 315.087 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 315.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7847531565217394 |
| Inchi | InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3/p-1/t12-/m0/s1 |
| Smiles | COC1=CC(=C(C=C1)[C@@H]2COC3=CC(=CC(=C3C2=O)[O-])O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Campestris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cicer Arietinum (Plant) Rel Props:Source_db:cmaup_ingredients