(2S)-2-(3,5-dihydroxyphenyl)-5,8-dihydroxy-2,3-dihydrochromen-4-one
PubChem CID: 162844503
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| Topological Polar Surface Area | 107.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(3,5-dihydroxyphenyl)-5,8-dihydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZWSGYOQWLHSPOR-ZDUSSCGKSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.857 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.289 |
| Compound Name | (2S)-2-(3,5-dihydroxyphenyl)-5,8-dihydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 288.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4015381428571425 |
| Inchi | InChI=1S/C15H12O6/c16-8-3-7(4-9(17)5-8)13-6-12(20)14-10(18)1-2-11(19)15(14)21-13/h1-5,13,16-19H,6H2/t13-/m0/s1 |
| Smiles | C1[C@H](OC2=C(C=CC(=C2C1=O)O)O)C3=CC(=CC(=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cassytha Filiformis (Plant) Rel Props:Source_db:cmaup_ingredients