MAO-A inhibitor 1
PubChem CID: 89581069
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| Compound Synonyms | MAO-A inhibitor 1, CHEMBL4647539, 119229-96-8, SCHEMBL14966981, SCHEMBL21643902, EX-A8471, BDBM50537874, HY-N12485, (e)-2,3,5,4'-tetrahydroxystilbene, CS-0910752, (E)-6-(4-Hydroxystyryl)benzene-1,2,4-triol, 6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,2,4-triol |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,2,4-triol |
| Prediction Hob | 1.0 |
| Target Id | NPT178 |
| Xlogp | 2.8 |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WREAQMXXCUARJD-DAFODLJHSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.128 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.766 |
| Compound Name | MAO-A inhibitor 1 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.4607585333333333 |
| Inchi | InChI=1S/C14H12O4/c15-11-5-2-9(3-6-11)1-4-10-7-12(16)8-13(17)14(10)18/h1-8,15-18H/b4-1+ |
| Smiles | C1=CC(=CC=C1/C=C/C2=C(C(=CC(=C2)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fallopia Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients