(2E,7Z)-1-(4-hydroxy-3-methoxyphenyl)-9-(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
PubChem CID: 131752690
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 83.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Description | Isolated from the rhizomes of Curcuma longa (turmeric). Curcumin II is found in turmeric and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 531.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,7Z)-1-(4-hydroxy-3-methoxyphenyl)-9-(4-hydroxyphenyl)nona-2,7-diene-4,6-dione |
| Nih Violation | False |
| Class | Phenols |
| Xlogp | 3.2 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Methoxyphenols |
| Molecular Formula | C22H22O5 |
| Inchi Key | RGMADVSAJHLTDE-MFDSWNTHSA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | Curcumin II |
| Compound Name | (2E,7Z)-1-(4-hydroxy-3-methoxyphenyl)-9-(4-hydroxyphenyl)nona-2,7-diene-4,6-dione |
| Kingdom | Organic compounds |
| Exact Mass | 366.147 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 366.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 366.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C22H22O5/c1-27-22-14-17(10-13-21(22)26)5-3-7-20(25)15-19(24)6-2-4-16-8-11-18(23)12-9-16/h2-3,6-14,23,26H,4-5,15H2,1H3/b6-2-,7-3+ |
| Smiles | COC1=C(C=CC(=C1)C/C=C/C(=O)CC(=O)/C=C\CC2=CC=C(C=C2)O)O |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Methoxyphenols |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:fooddb_chem_all