(3S)-5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one
PubChem CID: 163022183
Connections displayed (default: 10).
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| Topological Polar Surface Area | 96.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 587.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GENFCVZSDBHEJM-CYBMUJFWSA-N |
| Fcsp3 | 0.25 |
| Logs | -5.202 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.405 |
| Compound Name | (3S)-5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.504958061538462 |
| Inchi | InChI=1S/C20H18O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-8,13,21-23H,9H2,1-2H3/t13-/m1/s1 |
| Smiles | CC1(C=CC2=C(O1)C(=CC(=C2)[C@H]3COC4=CC(=CC(=C4C3=O)O)O)O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients