Aaptamine; Di-O-de-Me, 9-sulfate
AlkaPlorer ID: AK063406
Synonym: Dide-O-methylaaptamine 9-sulfate
IUPAC Name: (11-oxo-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-12-yl) hydrogen sulfate
Structure
SMILES: O=S(=O)(O)OC1=C2NC=CC3=C2C(=CC=N3)C=C1O
InChI: InChI=1S/C11H8N2O5S/c14-8-5-6-1-3-12-7-2-4-13-10(9(6)7)11(8)18-19(15,16)17/h1-5,13-14H,(H,15,16,17)
InChIKey: SXNAVXGCSFAXGP-UHFFFAOYSA-N
Reference
COCONUT: CNP0201450
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aaptos | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 280.261
TPSA？: 108.75
MolLogP？: 1.5181999999999998
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|