Coeloginanthrin
PubChem CID: 10913128
Connections displayed (default: 10).
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| Compound Synonyms | Coeloginanthrin, 7,8-dimethoxyphenanthrene-2,4,6-triol, DTXSID101031837, 3,5,7-trihydroxy-1,2-dimethoxyphenanthrene, Q17332620, 382145-13-3 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,8-dimethoxyphenanthrene-2,4,6-triol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Is Pains | False |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RPXPLEKXBFYMQL-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.582 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.155 |
| Compound Name | Coeloginanthrin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| 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/c1-20-15-10-4-3-8-5-9(17)6-12(18)14(8)11(10)7-13(19)16(15)21-2/h3-7,17-19H,1-2H3 |
| Smiles | COC1=C2C=CC3=CC(=CC(=C3C2=CC(=C1OC)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coelogyne Cristata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients