Isochavicinic acid
PubChem CID: 13001421
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| Compound Synonyms | Isochavicinic acid, 495-87-4, UNII-3F076NX5P9, Piperic acid (E,E)-form [MI], 3F076NX5P9, (2E,4Z)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid, 2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)-, (2E,4E)-, Piperic acid, 8CI, Piperic acid (8CI), 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid, (2E,4E)-, 5-(1,3-Benzenedioxol-5-yl)-2,4-pentadienoic acid, 9CI, 5-BENZO(1,3)DIOXOL-5-YL-PENTA-2,4-DIENOIC ACID, (2E,4Z)-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienoic acid, SCHEMBL11460092, (2E,4Z)-5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid, DTXSID501210675, AKOS024331416, PIPERIC ACID (E,Z)-FORM [MI], Q27257136, 2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)- (9CI), 2,4-PENTADIENOIC ACID, 5-(1,3-BENZODIOXOL-5-YL)-, (2E,4Z)-, 2,4-PENTADIENOIC ACID, 5-(1,3-BENZODIOXOL-5-YL)-, (E,Z)-, 5-(1,3-BENZODIOXOL-5-YL)-2,4-PENTADIENOIC ACID, (2E,4Z)- |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Description | obtained from black pepper (Piper nigrum), from Minthostachys verticillata, peppermint (Mentha piperita) and others. Piperic acid is found in herbs and spices and pepper (spice). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 308.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4Z)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid |
| Nih Violation | False |
| Class | Benzodioxoles |
| Xlogp | 2.7 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C12H10O4 |
| Inchi Key | RHBGITBPARBDPH-HSFFGMMNSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 2,4-Pentadienoic acid, 5-(1, 3-benzodioxol-5-yl)-, 2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)-, 2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)- (9CI), 5-(1,3-Benzenedioxol-5-yl)-2,4-pentadienoic acid, 9CI, 5-(1,3-benzodioxol-5-yl)-2,4-pentadienoic acid, 5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoic acid, Piperic acid, Piperic acid (8CI), Piperic acid, 8CI, Piperinic acid, Piperonic acid, 5-(3,4-Methylenedioxyphenyl)-2,4-pentadienoic acid, (2E,4Z)-form, Isochavicic acid, Isochavicinic acid, Piperate, 2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)- (9ci), 5-(1,3-Benzenedioxol-5-yl)-2,4-pentadienoic acid, 9ci, 5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid, Piperic acid (8ci), Piperic acid, 8ci, (+)-Silymonin, Ribosomal protein L7-L12, RPLL Protein, Ribosomal protein L12, L7-L12 Protein, Protein L7-L12, Ribosomal a-protein, (2E,4Z)-5-(2H-1,3-Benzodioxol-5-yl)penta-2,4-dienoate |
| Compound Name | Isochavicinic acid |
| Kingdom | Organic compounds |
| Exact Mass | 218.058 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 218.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 218.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1-,4-2+ |
| Smiles | C1OC2=C(O1)C=C(C=C2)/C=C\C=C\C(=O)O |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Benzodioxoles |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all