2-methoxy-9-phenyl-1H-phenalen-1-one
PubChem CID: 10085389
Connections displayed (default: 10).
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| Compound Synonyms | 2-O-Methylanigorufone, 56252-05-2, 2-methoxy-9-phenyl-1H-phenalen-1-one, methoxyanigorufone, 2-METHOXY-9-PHENYLPHENALEN-1-ONE, 1H-Phenalen-1-one, 2-methoxy-9-phenyl-, 2-methoxy-9-phenyl-phenalen-1-one, CHEMBL1164385, DTXSID00435434, CHEBI:174737, HY-N8921, AKOS040761015, CS-0149372 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-9-phenylphenalen-1-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Is Pains | False |
| Molecular Formula | C20H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NXRGWQRQXPUQSX-UHFFFAOYSA-N |
| Fcsp3 | 0.05 |
| Logs | -6.204 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.825 |
| Compound Name | 2-methoxy-9-phenyl-1H-phenalen-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.099 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 286.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 286.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.165127818181818 |
| Inchi | InChI=1S/C20H14O2/c1-22-17-12-15-9-5-8-14-10-11-16(13-6-3-2-4-7-13)19(18(14)15)20(17)21/h2-12H,1H3 |
| Smiles | COC1=CC2=CC=CC3=C2C(=C(C=C3)C4=CC=CC=C4)C1=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;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:cmaup_ingredients;npass_chem_all