Gymnopusin
PubChem CID: 14505894
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| Compound Synonyms | Gymnopusin, U8AQ3SG7TD, UNII-U8AQ3SG7TD, 3,4,9-Trimethoxy-2,7-phenanthrenediol, 2,7-Phenanthrenediol, 3,4,9-trimethoxy-, 113476-61-2, CHEMBL2208383, DTXSID501031827, 3,4,9-TRIMETHOXYPHENANTHRENE-2,7-DIOL |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,9-trimethoxyphenanthrene-2,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GIVSZLKTIBWYRM-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.827 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.279 |
| Compound Name | Gymnopusin |
| 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/c1-20-14-7-9-6-13(19)16(21-2)17(22-3)15(9)11-5-4-10(18)8-12(11)14/h4-8,18-19H,1-3H3 |
| Smiles | COC1=CC2=CC(=C(C(=C2C3=C1C=C(C=C3)O)OC)OC)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;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Sophora Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all