Anigorufone
PubChem CID: 636472
Connections displayed (default: 10).
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| Compound Synonyms | Anigorufone, 56252-32-5, 2-hydroxy-9-phenyl-1H-phenalen-1-one, 2-hydroxy-9-phenylphenalen-1-one, 1H-phenalen-1-one, 2-hydroxy-9-phenyl-, 2-Hydroxy-9-phenyl-phenalen-1-one, 2-hydroxyl-9-phenyl-phenalenone, CHEMBL1163760, SCHEMBL25280455, CHEBI:189798, 2W6992Y8RL, DTXSID601291917, HY-N8286, 2-oxidanyl-9-phenyl-phenalen-1-one, AKOS028108702, DB-323997, CS-0142634 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Description | Pigment from Musa acuminata (dwarf banana). Anigorufone is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-9-phenylphenalen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C19H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACJJXELQAJQSLK-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -6.348 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.394 |
| Synonyms | 1H-phenalen-1-one, 2-hydroxy-9-phenyl-, 2-Hydroxy-9-phenyl-1H-phenalen-1-one, 2-Hydroxy-9-phenyl-phenalen-1-one, Anigorufone |
| Compound Name | Anigorufone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 272.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.961888123809524 |
| Inchi | InChI=1S/C19H12O2/c20-16-11-14-8-4-7-13-9-10-15(12-5-2-1-3-6-12)18(17(13)14)19(16)21/h1-11,20H |
| Smiles | C1=CC=C(C=C1)C2=C3C4=C(C=CC=C4C=C(C3=O)O)C=C2 |
| 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;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Andrographis Viscosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Anthocercis Albicans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Chenopodium Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Diospyros Canaliculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Euclea Crispa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Lindera Obtusiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Senna Spectabilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Tiliacora Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Verbascum Laxum (Plant) Rel Props:Source_db:npass_chem_all