7-Hydroxy-2-methoxyphenanthrene-1,4-dione
PubChem CID: 637413
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| Compound Synonyms | Densiflorol B, 7-hydroxy-2-methoxyphenanthrene-1,4-dione, GNF-Pf-2961, 7-Hydroxy-2-methoxy-1,4-phenanthrenedione, CHEMBL582103, 7-Hydroxy-2-methoxy-phenanthrene-1,4-dione, 1,4-phenanthrenedione, 7-hydroxy-2-methoxy-, InChI=1/C15H10O4/c1-19-13-7-12(17)14-10-5-3-9(16)6-8(10)2-4-11(14)15(13)18/h2-7,16H,1H |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 7-hydroxy-2-methoxyphenanthrene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FVUZCFUZMSCPCK-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.131 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.314 |
| Compound Name | 7-Hydroxy-2-methoxyphenanthrene-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 254.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3336678842105263 |
| Inchi | InChI=1S/C15H10O4/c1-19-13-7-12(17)14-10-5-3-9(16)6-8(10)2-4-11(14)15(13)18/h2-7,16H,1H3 |
| Smiles | COC1=CC(=O)C2=C(C1=O)C=CC3=C2C=CC(=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Formosana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Coleus Aromaticus (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cynanchum Viminale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Lanaria Lanata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Selaginella Labordei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all