6,7,8-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
PubChem CID: 16657778
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL519331, SCHEMBL5309179, DTXSID301192829, 6,7,8-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 727409-27-0, PD129648 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C15H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BYXJBJUCNOOYRF-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.759 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.541 |
| Compound Name | 6,7,8-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7235913238095235 |
| Inchi | InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)12-6-10(17)9-5-11(18)13(19)14(20)15(9)21-12/h1-6,16,18-20H |
| Smiles | C1=CC(=CC=C1C2=CC(=O)C3=CC(=C(C(=C3O2)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Californica (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Croton Laevigatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Hemerocallis Longituba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Inula Falconeri (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Polygonum Plebejum (Plant) Rel Props:Source_db:npass_chem_all