5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethylpyrano[2,3-f]chromen-10-one
PubChem CID: 101396889
Connections displayed (default: 10).
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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 | 599.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethylpyrano[2,3-f]chromen-10-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C20H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GHUQHFLVTXMEHU-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.43 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.371 |
| Compound Name | 5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethylpyrano[2,3-f]chromen-10-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 336.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.970926600000001 |
| Inchi | InChI=1S/C20H16O5/c1-20(2)8-7-13-14(22)9-17-18(19(13)25-20)15(23)10-16(24-17)11-3-5-12(21)6-4-11/h3-10,21-22H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C3=C(C=C2O)OC(=CC3=O)C4=CC=C(C=C4)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anthotroche Myoporoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Astragalus Flexus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Erythrina Vogelii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Helenium Virginicum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Heliotropium Digynum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Hypericum Caprifoliatum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Nannoglottis Ravida (Plant) Rel Props:Source_db:cmaup_ingredients