(2S)-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID: 5315801
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| Compound Synonyms | CHEMBL4640103 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 517.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C22H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDGMASFMCKFHSI-FQEVSTJZSA-N |
| Fcsp3 | 0.1363636363636363 |
| Logs | -3.818 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.456 |
| Compound Name | (2S)-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 362.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 362.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 362.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.097395533333333 |
| Inchi | InChI=1S/C22H18O5/c23-16-9-5-4-8-14(16)10-15-17(24)11-18(25)21-19(26)12-20(27-22(15)21)13-6-2-1-3-7-13/h1-9,11,20,23-25H,10,12H2/t20-/m0/s1 |
| Smiles | C1[C@H](OC2=C(C(=CC(=C2C1=O)O)O)CC3=CC=CC=C3O)C4=CC=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Pallida (Plant) Rel Props:Source_db:cmaup_ingredients