Hydrangeic acid
PubChem CID: 5318116
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| Compound Synonyms | Hydrangeic acid, 491-79-2, GYE4WJ5J43, 113428-99-2, 2-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid, 3,4'-dihydroxystilbene-2-carboxylic acid, 2-Hydroxy-6-(4-hydroxystyryl)benzoic acid, 2-Stilbenecarboxylic acid, 3,4'-dihydroxy-, (E)-2-Hydroxy-6-(4-hydroxystyryl)benzoic acid, 2-Hydroxy-6-(2-(4-hydroxyphenyl)ethenyl)benzoic acid, Benzoic acid, 2-hydroxy-6-(2-(4-hydroxyphenyl)ethenyl)-, Benzoic acid, 2-hydroxy-6-((1E)-2-(4-hydroxyphenyl)ethenyl)-, hydrangeaic acid, UNII-GYE4WJ5J43, CHEMBL248347, SCHEMBL5352105, DTXSID201045314, AT44632, Q15411033 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UWXXIBUTKVUHTR-QPJJXVBHSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.086 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.784 |
| Compound Name | Hydrangeic acid |
| 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 | 1.0 |
| Esol | -3.940961821052631 |
| Inchi | InChI=1S/C15H12O4/c16-12-8-5-10(6-9-12)4-7-11-2-1-3-13(17)14(11)15(18)19/h1-9,16-17H,(H,18,19)/b7-4+ |
| Smiles | C1=CC(=C(C(=C1)O)C(=O)O)/C=C/C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hydrangea Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all