Forkienin
PubChem CID: 16109788
Connections displayed (default: 10).
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| Compound Synonyms | forkienin, 2-Hydroxy-5-[(4-hydroxyphenyl)methyl]benzaldehyde, 906795-82-2, DTXSID90582986, 2-Hydroxy-5-((4-hydroxyphenyl)methyl)benzaldehyde, CHEMBL376251, DTXCID90533751 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-5-[(4-hydroxyphenyl)methyl]benzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C14H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OOIJRRBPTUCNMW-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.205 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.629 |
| Compound Name | Forkienin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5639843411764707 |
| Inchi | InChI=1S/C14H12O3/c15-9-12-8-11(3-6-14(12)17)7-10-1-4-13(16)5-2-10/h1-6,8-9,16-17H,7H2 |
| Smiles | C1=CC(=CC=C1CC2=CC(=C(C=C2)O)C=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Microtropis Fokienensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all