(2S)-5,8-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID: 163019434
Connections displayed (default: 10).
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| Topological Polar Surface Area | 96.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5,8-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QTQPUYSGVJRORV-AWEZNQCLSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.013 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.546 |
| Compound Name | (2S)-5,8-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4725847636363634 |
| Inchi | InChI=1S/C16H14O6/c1-21-8-2-3-10(17)9(6-8)14-7-13(20)15-11(18)4-5-12(19)16(15)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 |
| Smiles | COC1=CC(=C(C=C1)O)[C@@H]2CC(=O)C3=C(C=CC(=C3O2)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