9-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one
PubChem CID: 85846875
Connections displayed (default: 10).
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| Compound Synonyms | 9-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one, 56252-03-0, DTXSID001222108, 2-hydroxy-9-(3',4'-dihydroxyphenyl)-1h-phenalen-1-one |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 513.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-(3,4-dihydroxyphenyl)-2-hydroxyphenalen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C19H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DPDJXXJPURMWEU-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.241 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.937 |
| Compound Name | 9-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 304.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.663948808695653 |
| Inchi | InChI=1S/C19H12O4/c20-14-7-5-11(8-15(14)21)13-6-4-10-2-1-3-12-9-16(22)19(23)18(13)17(10)12/h1-9,20-22H |
| Smiles | C1=CC2=C3C(=C1)C=C(C(=O)C3=C(C=C2)C4=CC(=C(C=C4)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Hippocastanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Andrographis Viscosula (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Anthocercis Albicans (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Chenopodium Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Diospyros Canaliculata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Euclea Crispa (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Lindera Obtusiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Senna Spectabilis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Tiliacora Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Verbascum Laxum (Plant) Rel Props:Source_db:cmaup_ingredients