Haginin B
PubChem CID: 14077816
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| Compound Synonyms | Haginin B, 7,4'-Dihydroxy-2'-methoxyisoflavene, 3-(4-hydroxy-2-methoxyphenyl)-2H-chromen-7-ol, LMPK12080063, 74174-31-5 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-hydroxy-2-methoxyphenyl)-2H-chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RMENXIMFGIVCHR-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.964 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.119 |
| Compound Name | Haginin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5224607999999997 |
| Inchi | InChI=1S/C16H14O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-8,17-18H,9H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)O)C2=CC3=C(C=C(C=C3)O)OC2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Teucrium Betonicum (Plant) Rel Props:Source_db:cmaup_ingredients