Haginin C
PubChem CID: 44257525
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| Compound Synonyms | Haginin C, 7,2',4'-Trihydroxy-3'-methoxyisoflavene, 4-(7-hydroxy-2H-chromen-3-yl)-2-methoxybenzene-1,3-diol, CHEBI:178307, LMPK12080065, 79852-14-5 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 396.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(7-hydroxy-2H-chromen-3-yl)-2-methoxybenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NKZJSYQCTOOYEV-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.067 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.909 |
| Compound Name | Haginin C |
| 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 | -3.3800117428571426 |
| Inchi | InChI=1S/C16H14O5/c1-20-16-13(18)5-4-12(15(16)19)10-6-9-2-3-11(17)7-14(9)21-8-10/h2-7,17-19H,8H2,1H3 |
| Smiles | COC1=C(C=CC(=C1O)C2=CC3=C(C=C(C=C3)O)OC2)O |
| 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