7-hydroxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
AlkaPlorer ID: AK261640
Synonym: None
IUPAC Name: 1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione
Structure
SMILES: O=C1C=CC2=NC(O)=CC3=C2N1C1=CC=CC=C31
InChI: InChI=1S/C14H8N2O2/c17-12-7-9-8-3-1-2-4-11(8)16-13(18)6-5-10(15-12)14(9)16/h1-7H,(H,15,17)
InChIKey: BDCOKQCMZJCYDY-UHFFFAOYSA-N
Reference
Occurrence of Indole Alkaloids in Ailanthus altissima Cell Cultures
PubChem CID: 14082276
LOTUS: LTS0011386
SuperNatural Ⅲ: SN0022313
COCONUT: CNP0414077
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 236.23
TPSA？: 54.6
MolLogP？: 2.1442999999999994
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Col2 | IC50 | 506.0 | nM | 10.1016/j.ejmech.2021.113688 |
| Homo sapiens | HUVEC | IC50 | 506.0 | nM | 10.1016/j.ejmech.2021.113688 |
| Homo sapiens | KB | Activity | nan | None | 10.1021/np50026a016 |
| Homo sapiens | LNCaP | IC50 | 506.0 | nM | 10.1016/j.ejmech.2021.113688 |
| Homo sapiens | TERT-RPE1 | IC50 | 506.0 | nM | 10.1016/j.ejmech.2021.113688 |
| None | Unchecked | IC50 | 506.0 | nM | 10.1016/j.ejmech.2021.113688 |