Monodemethylcurcumin
PubChem CID: 5469426
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Demethyl Curcumin, Monodemethylcurcumin, 149732-51-4, O-Demethylcurcumin, Mono-O-Demethylcurcumin, demethylcurcumin, UNII-422O27405E, NSC687844, (1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione, 422O27405E, 1,6-Heptadiene-3,5-dione, 1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-, 1,6-Heptadiene-3,5-dione, 1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-, (E,E)-, CHEMBL103410, 1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (1E,6E)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, , MEGxp0_000958, SCHEMBL3673716, ACon1_000860, DTXSID00420209, CHEBI:175540, BDBM50059987, NSC-687844, NCGC00169287-01, AS-85783, DB-230169, NS00116353, Q27258483, (1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione, (1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1, 6-diene-3,5-dione, (1E,6E)-1-(3,4-Dihydroxy-phenyl)-7-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Description | Constituent of the rhizomes of Curcuma domestica (turmeric). 1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 540.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q7ZJM1 |
| Iupac Name | (1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FFRFJIZJLZXEJX-YPCIICBESA-N |
| Fcsp3 | 0.1 |
| Logs | -3.333 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.487 |
| Synonyms | 1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione |
| Compound Name | Monodemethylcurcumin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.7246580615384617 |
| Inchi | InChI=1S/C20H18O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)12-15(21)6-2-13-4-8-17(23)19(25)10-13/h2-11,23-25H,12H2,1H3/b6-2+,7-3+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all