3,4-dihydroxy-N-(4-hydroxyphenethyl)benzamide
PubChem CID: 44521377
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| Compound Synonyms | 3,4-dihydroxy-N-(4-hydroxyphenethyl)benzamide, N-protocatechuoyltyramine, CHEMBL564134 |
|---|---|
| Topological Polar Surface Area | 89.8 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14679, P11344 |
| Iupac Name | 3,4-dihydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C15H15NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGIFBSQQOUBLSS-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.971 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.883 |
| Compound Name | 3,4-dihydroxy-N-(4-hydroxyphenethyl)benzamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 273.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 273.1 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 273.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5161856 |
| Inchi | InChI=1S/C15H15NO4/c17-12-4-1-10(2-5-12)7-8-16-15(20)11-3-6-13(18)14(19)9-11/h1-6,9,17-19H,7-8H2,(H,16,20) |
| Smiles | C1=CC(=CC=C1CCNC(=O)C2=CC(=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all