Haginin D
PubChem CID: 14077819
Connections displayed (default: 10).
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| Compound Synonyms | Haginin D, 7,2',4'-Trihydroxyisoflavene, SCHEMBL4320833, LMPK12080062, 79852-13-4, 4-(7-hydroxy-2H-chromen-3-yl)benzene-1,3-diol |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(7-hydroxy-2H-chromen-3-yl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IHOXLUDKLLDPHW-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -2.894 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.082 |
| Compound Name | Haginin D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3232618210526317 |
| Inchi | InChI=1S/C15H12O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-7,16-18H,8H2 |
| Smiles | C1C(=CC2=C(O1)C=C(C=C2)O)C3=C(C=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Homoloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Teucrium Betonicum (Plant) Rel Props:Source_db:cmaup_ingredients