251907-19-4
AlkaPlorer ID: AK024734
Synonym: None
IUPAC Name: (4-hydroxyphenyl)-[5-(4-hydroxyphenyl)-1H-imidazol-2-yl]methanone
Structure
SMILES: O=C(C1=CC=C(O)C=C1)C1=NC=C(C2=CC=C(O)C=C2)N1
InChI: InChI=1S/C16H12N2O3/c19-12-5-1-10(2-6-12)14-9-17-16(18-14)15(21)11-3-7-13(20)8-4-11/h1-9,19-20H,(H,17,18)
InChIKey: CVMMSMXAYMWLRK-UHFFFAOYSA-N
Reference
Novel alkaloids from the red ascidian botryllus leachi
PubChem CID: 346904
CAS: 251907-19-4
LOTUS: LTS0108153
COCONUT: CNP0318243
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 280.283
TPSA？: 86.21000000000001
MolLogP？: 2.7189000000000005
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-375 | IC50 | 38769.0 | nM | 10.1021/jm4001117 |
| Homo sapiens | DU-145 | IC50 | nan | None | 10.1021/jm4001117 |
| Homo sapiens | LNCaP | IC50 | nan | None | 10.1021/jm4001117 |
| Homo sapiens | MDA-MB-435 | IC50 | 47986.0 | nM | 10.1021/jm4001117 |
| Homo sapiens | PC-3 | IC50 | nan | None | 10.1021/jm4001117 |
| Homo sapiens | PPC-1 | IC50 | nan | None | 10.1021/jm4001117 |
| None | NON-PROTEIN TARGET | IC50 | 21421.0 | nM | 10.1021/jm4001117 |
| None | NON-PROTEIN TARGET | IC50 | 48218.0 | nM | 10.1021/jm4001117 |
| None | Unchecked | IC50 | 21400.0 | nM | 10.1021/np0503698 |