3,5,6,7-Tetramethoxyphenanthrene-1,4-dione
PubChem CID: 21593745
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| Compound Synonyms | CHEMBL467548 |
|---|---|
| Topological Polar Surface Area | 71.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 542.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3,5,6,7-tetramethoxyphenanthrene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGIOMSHQGNUITE-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -4.644 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.27 |
| Compound Name | 3,5,6,7-Tetramethoxyphenanthrene-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.677617333333334 |
| Inchi | InChI=1S/C18H16O6/c1-21-12-8-11(19)10-6-5-9-7-13(22-2)17(23-3)18(24-4)14(9)15(10)16(12)20/h5-8H,1-4H3 |
| Smiles | COC1=CC(=O)C2=C(C1=O)C3=C(C(=C(C=C3C=C2)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calanthe Arisanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all