6,7-Dihydroxy-2-methoxy-1,4-phenanthrenedione
PubChem CID: 135520438
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| Compound Synonyms | 6,7-dihydroxy-2-methoxy-1,4-phenanthrenedione, CHEMBL486392, 6,7-DMP, 6,7-dihydroxy-2-methoxyphenanthrene-1,4-dione, 864448-08-8 |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 469.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7-dihydroxy-2-methoxyphenanthrene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PFKNMJHZSFZCQK-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.092 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.077 |
| Compound Name | 6,7-Dihydroxy-2-methoxy-1,4-phenanthrenedione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 270.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1865880000000004 |
| Inchi | InChI=1S/C15H10O5/c1-20-13-6-12(18)14-8(15(13)19)3-2-7-4-10(16)11(17)5-9(7)14/h2-6,16-17H,1H3 |
| Smiles | COC1=CC(=O)C2=C(C1=O)C=CC3=CC(=C(C=C32)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients