6-epi-monanchorin
AlkaPlorer ID: AK063313
Synonym: None
IUPAC Name: (1R,5R,7S)-7-pentyl-6-oxa-2,4-diazabicyclo[3.2.2]non-3-en-3-amine
Structure
SMILES: CCCCC[C@@H]1O[C@@H]2CC[C@H]1NC(=N)N2
InChI: InChI=1S/C11H21N3O/c1-2-3-4-5-9-8-6-7-10(15-9)14-11(12)13-8/h8-10H,2-7H2,1H3,(H3,12,13,14)/t8-,9+,10-/m1/s1
InChIKey: RVYXBEHIFHTIKB-KXUCPTDWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vibrio sp. | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Halichondria panicea | Halichondria | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 211.30900000000003
TPSA？: 57.14
MolLogP？: 1.56797
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Huh-7 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.6b00095 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | Inhibition | nan | % | 10.1021/acs.jnatprod.6b00095 |