(3S)-3-(2,4-dihydroxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
PubChem CID: 154496659
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 556.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3-(2,4-dihydroxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C20H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SFIMWOHAIWWSQJ-OAHLLOKOSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.018 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.551 |
| Compound Name | (3S)-3-(2,4-dihydroxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2934258000000005 |
| Inchi | InChI=1S/C20H18O5/c1-20(2)8-7-13-17(25-20)6-5-14-18(23)15(10-24-19(13)14)12-4-3-11(21)9-16(12)22/h3-9,15,21-22H,10H2,1-2H3/t15-/m1/s1 |
| Smiles | CC1(C=CC2=C(O1)C=CC3=C2OC[C@@H](C3=O)C4=C(C=C(C=C4)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients