Compound | Ferulic acid |
NPACT-Id | NPACT00580 |
IUPAC | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
Synonyms | ferulate |
PubChem Id | 445858 |
Class | Lignans |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | Yes |
Targets | GSTM1 | NQO1 | All | |
Properties | Physical Elemental Topological |
InChi Key | KSEBMYQBYZTDHS-HWKANZROSA-N |
InChi | 1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
SMILES | O(c1cc(ccc1O)/C=C/C(=O)O)C |
SMART | [H]OC(=O)C([H])=C(/[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H] |
CAS No. | 1135-24-6 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | 001135246 |
CTD | C004999 |
HIT | - |
NCI-60 GI50 data | 1135-24-6 |
Suppliers | AAA Chemistry, ABBLIS Chemicals, ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Biosynth, ChemExper Chemical
Directory, ChemMol, Enamine, Hangzhou APIChem Technology, Hangzhou Trylead Chemical Technology, IS Chemical Technology, MolPort, R&D
Chemicals, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, Vitas-M Laboratory, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |