5-Hydroxyferulic acid
PubChem CID: 446834
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| Compound Synonyms | 5-Hydroxyferulic acid, 1782-55-4, 110642-42-7, trans-5-hydroxyferulic acid, 3,4-dihydroxy-5-methoxycinnamic acid, (E)-5-hydroxyferulic acid, (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid, 3-Methoxycaffeic acid, 5-Hydroxyferulate, 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid, 3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoic acid, 2-Propenoic acid, 3-(3,4-dihydroxy-5-methoxyphenyl)-, (2E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid, 2-Propenoic acid, 3-(3,4-dihydroxy-5-methoxyphenyl)-, (2E)-, (2E)-3-(3,4-Dihydroxy-5-methoxyphenyl)-2-propenoic acid, hydroxyferulic acid, HFL, Hydroxy Ferulic Acid, R3LZY3E4HE, CHEBI:2069, CHEMBL4205174, SCHEMBL10085810, CHEBI:20582, DTXSID001347297, MFCD03002791, AKOS040736324, 3,4-Dihydroxy-5-methoxycinnamoic acid, DA-48742, DA-70216, FD146395, PD164672, Cinnamic acid, 3,4-dihydroxy-5-methoxy-, HY-133068, 3-methoxy-4,5-dihydroxy-trans-cinnamic acid, CS-0110087, 3-(3,4-dihydroxy-5-methoxyphenyl)acrylic acid, C05619, G13173, EN300-1828675, Q1033729, 3-(3,4-Dihydroxy-5-methoxy)-2-propenoic acid, 9CI, (E)-3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enoic acid, 3,4-Dihydroxy-5-methoxycinnamic acid, >=95.0% (HPLC) |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Description | Isolated from bamboo (Phyllostachys edulis). 5-Hydroxyferulic acid is found in many foods, some of which are napa cabbage, chervil, common bean, and saskatoon berry. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 250.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C10H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YFXWTVLDSKSYLW-NSCUHMNNSA-N |
| Fcsp3 | 0.1 |
| Logs | -1.289 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.264 |
| Synonyms | 2-Propenoic acid, 3-(3,4-dihydroxy-5-methoxyphenyl)-, 3-(3,4-Dihydroxy-5-methoxy)-2-propenoic acid, 9CI, 3-(3,4-Dihydroxy-5-methoxyphenyl)-2-propenoic acid, 3-Methoxycaffeic acid, 3,4-Dihydroxy-5-methoxycinnamoic acid, 5-Hydroxyferulate, 5-Hydroxyferulic acid, HFL |
| Compound Name | 5-Hydroxyferulic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 210.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.953047 |
| Inchi | InChI=1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/b3-2+ |
| Smiles | COC1=CC(=CC(=C1O)O)/C=C/C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemone Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chrysosplenium Americanum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Eritrichium Sericeum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Phlogacanthus Tubiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Sabia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Smilax China (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Woodsia Manchuriensis (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all