Aaptamine; O9-De-Me
AlkaPlorer ID: AK132449
Synonym: 9-De-O-methylaaptamine
IUPAC Name: 11-methoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),7,9,11-hexaen-12-ol
Structure
SMILES: COC1=CC2=CC=NC3=C2C(=C1O)NC=C3
InChI: InChI=1S/C12H10N2O2/c1-16-9-6-7-2-4-13-8-3-5-14-11(10(7)8)12(9)15/h2-6,14-15H,1H3
InChIKey: XUBVCJMVRGITPS-UHFFFAOYSA-N
Reference
Aaptamines as sortase A inhibitors from the tropical sponge Aaptos aaptos
LOTUS: LTS0257790
COCONUT: CNP0276004
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aaptos aaptos | Aaptos | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 214.224
TPSA？: 54.38
MolLogP？: 2.3452
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|