| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 23 | No |
Popular Name: Bisdemethoxycurcumin Bisdemethoxycurcumin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 24939-16-0 , 33171-05-0 , [24939-16-0] , [33171-05-0]
(1E,6E)-1,7-Bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
1,7-Bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
1,7-bis(p-hydroxyphenyl)-1,6-Heptadiene-3,5-dione
24939-16-0; Bisdemethoxycurcumin; C17743
BIS(4-HYDROXYCINNAMOYL)METHANE
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.67 | 7.14 | -18.47 | 2 | 4 | 0 | 75 | 308.333 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 5.47 | -57.57 | 2 | 4 | -1 | 81 | 307.325 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| UniProt Database Links | CURS3_CURLO; CUS_ORYSJ | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTSI-1-B | CpG DNA Methylase (cluster #1 Of 2), Bacterial | Bacteria | 30 | 0.46 | Binding ≤ 10μM |
| Z50420-1-O | Trypanosoma Brucei Brucei (cluster #1 Of 7), Other | Other | 9500 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTSI_SPISQ | P15840 | CpG DNA Methylase, Spisq | 30 | 0.46 | Binding ≤ 1μM |
| MTSI_SPISQ | P15840 | CpG DNA Methylase, Spisq | 30 | 0.46 | Binding ≤ 10μM |
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 4500 | 0.33 | Functional ≤ 10μM |
