4,9-Dimethoxyphenanthrene-2,3,5-Triol
PubChem CID: 24762428
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| Compound Synonyms | 4,9-dimethoxyphenanthrene-2,3,5-triol, 2,3,5-trihydroxy-4,9-dimethoxyphenanthrene, CHEMBL254807, SCHEMBL23203409 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 4,9-dimethoxyphenanthrene-2,3,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GSABLXRGQAKZDS-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.957 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.919 |
| Compound Name | 4,9-Dimethoxyphenanthrene-2,3,5-Triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.055287933333333 |
| Inchi | InChI=1S/C16H14O5/c1-20-12-7-8-6-11(18)15(19)16(21-2)13(8)14-9(12)4-3-5-10(14)17/h3-7,17-19H,1-2H3 |
| Smiles | COC1=CC2=CC(=C(C(=C2C3=C1C=CC=C3O)OC)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;npass_chem_all