(3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
PubChem CID: 162938481
Connections displayed (default: 10).
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| Topological Polar Surface Area | 65.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 541.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C22H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RDSJBMMQOCZNLR-GOSISDBHSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -5.327 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.669 |
| Compound Name | (3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 368.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.014848688888889 |
| Inchi | InChI=1S/C22H24O5/c1-13(2)5-6-14-9-17-21(11-20(14)26-4)27-12-18(22(17)24)16-8-7-15(25-3)10-19(16)23/h5,7-11,18,23H,6,12H2,1-4H3/t18-/m1/s1 |
| Smiles | CC(=CCC1=CC2=C(C=C1OC)OC[C@@H](C2=O)C3=C(C=C(C=C3)OC)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Aspera (Plant) Rel Props:Source_db:cmaup_ingredients