2,7-Phenanthrenediol, 3,4,6-trimethoxy-
PubChem CID: 356766
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| Compound Synonyms | 2,7-Phenanthrenediol, 3,4,6-trimethoxy-, 39499-89-3, NSC613755, CHEMBL3910669, DTXSID00326752, NSC-613755, 2,7-dihydroxy-3,4,6-trimethoxyphenanthrene |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,6-trimethoxyphenanthrene-2,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XGYYXBDYFNKQER-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.007 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.237 |
| Compound Name | 2,7-Phenanthrenediol, 3,4,6-trimethoxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.261731090909091 |
| Inchi | InChI=1S/C17H16O5/c1-20-14-8-11-9(6-12(14)18)4-5-10-7-13(19)16(21-2)17(22-3)15(10)11/h4-8,18-19H,1-3H3 |
| Smiles | COC1=C(C=C2C=CC3=CC(=C(C(=C3C2=C1)OC)OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abelmoschus Moschatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bletilla Formosana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sophora Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients