Neolamellarin A
AlkaPlorer ID: AK082953
Synonym: None
IUPAC Name: 1-[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-2-(4-hydroxyphenyl)ethanone
Structure
SMILES: O=C(CC1=CC=C(O)C=C1)N1C=C(C2=CC=C(O)C=C2)C(C2=CC=C(O)C=C2)=C1
InChI: InChI=1S/C24H19NO4/c26-19-7-1-16(2-8-19)13-24(29)25-14-22(17-3-9-20(27)10-4-17)23(15-25)18-5-11-21(28)12-6-18/h1-12,14-15,26-28H,13H2
InChIKey: ANCFAUCOYOMNJZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 385.4190000000001
TPSA？: 82.69
MolLogP？: 4.821800000000004
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | GI50 | 59500.0 | nM | 10.1016/j.bmcl.2019.06.017 |
| Homo sapiens | T47D | Activity | 20.0 | % | 10.1021/np070206e |
| Homo sapiens | T47D | Activity | nan | None | 10.1021/np070206e |
| None | Unchecked | Activity | 58.0 | % | 10.1021/np070206e |
| None | Unchecked | IC50 | 10800.0 | nM | 10.1016/j.bmcl.2019.06.017 |
| None | Unchecked | Inhibition | 26.0 | % | 10.1021/np070206e |