3-Amino-8-methoxy-9H-benzo[de][1,6]naphthyridin-9-one; N3-[2-(4-Hydroxyphenyl)ethyl]
AlkaPlorer ID: AK129515
Synonym: 3-(4-Hydroxyphenethylamino)demethyloxyaaptamine
IUPAC Name: 4-[2-(4-hydroxyphenyl)ethylimino]-11-methoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),2,5,7,9,11-hexaen-12-ol
Structure
SMILES: COC1=CC2=CC=NC3=C(NCCC4=CC=C(O)C=C4)C=NC(=C23)C1=O
InChI: InChI=1S/C20H17N3O3/c1-26-16-10-13-7-9-22-18-15(11-23-19(17(13)18)20(16)25)21-8-6-12-2-4-14(24)5-3-12/h2-5,7,9-11,21,24H,6,8H2,1H3
InChIKey: BXWNQQWYSYEBBQ-UHFFFAOYSA-N
Reference
COCONUT: CNP0427756
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aaptos aaptos | Aaptos | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 347.3740000000001
TPSA？: 84.34
MolLogP？: 3.1736000000000013
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|