Gnetucleistol D
PubChem CID: 44419358
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| Compound Synonyms | Gnetucleistol D, 629643-26-1, W4XBS7AED8, UNII-W4XBS7AED8, CHEMBL219050, 1,3-Benzenediol, 5-((1E)-2-(4-hydroxy-2-methoxyphenyl)ethenyl)-, 5-((1E)-2-(4-Hydroxy-2-methoxyphenyl)ethenyl)-1,3-benzenediol, SCHEMBL17675281, SCHEMBL17675282, BDBM50193668, AKOS040734620, FS-7757, trans-2-methoxy-4,3'',5''-trihydroxystilbene, Q17299982, 5-[(E)-2-(4-HYDROXY-2-METHOXYPHENYL)ETHENYL]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 | 295.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14679 |
| Iupac Name | 5-[(E)-2-(4-hydroxy-2-methoxyphenyl)ethenyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CFQSTARVCGBYNJ-NSCUHMNNSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -2.442 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.392 |
| Compound Name | Gnetucleistol D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6636610210526315 |
| Inchi | InChI=1S/C15H14O4/c1-19-15-9-12(16)5-4-11(15)3-2-10-6-13(17)8-14(18)7-10/h2-9,16-18H,1H3/b3-2+ |
| Smiles | COC1=C(C=CC(=C1)O)/C=C/C2=CC(=CC(=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iris Domestica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all