8-hydroxy-11-methoxy-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: AK043365
Synonym: None
IUPAC Name: 8-hydroxy-11-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Structure
SMILES: COC1=CC=CC2=C1C1=C(O)C=NC3=C1N2C(=O)C=C3
InChI: InChI=1S/C15H10N2O3/c1-20-11-4-2-3-9-13(11)14-10(18)7-16-8-5-6-12(19)17(9)15(8)14/h2-7,18H,1H3
InChIKey: PGCMCHVRXMXNSW-UHFFFAOYSA-N
Reference
Alkaloids and quassinoids of Brucea mollis var. tonkinensis
PubChem CID: 86132504
LOTUS: LTS0234274
SuperNatural Ⅲ: SN0284503
COCONUT: CNP0162257
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brucea mollis | Brucea | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 266.256
TPSA？: 63.830000000000005
MolLogP？: 2.1529
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | ED50 | 2.0 | ug ml-1 | 10.1016/j.ejmech.2021.113688 |