Aplysinopsin; 6-Bromo, N1-propanoyl
AlkaPlorer ID: AK289019
Synonym: 6-Bromo-N1-propionylaplysinopsin
IUPAC Name: (5E)-5-[(6-bromo-1-propanoylindol-3-yl)methylidene]-2-imino-1,3-dimethylimidazolidin-4-one
Structure
SMILES: CCC(=O)N1C=C(/C=C2\C(=O)N(C)C(=N)N2C)C2=CC=C(Br)C=C21
InChI: InChI=1S/C17H17BrN4O2/c1-4-15(23)22-9-10(12-6-5-11(18)8-13(12)22)7-14-16(24)21(3)17(19)20(14)2/h5-9,19H,4H2,1-3H3/b14-7+,19-17?
InChIKey: MTTQYZQDRGRUTI-HZJPCPOBSA-N
Reference
Chemical diversity in the scleractinian coral Astroides calycularis
PubChem CID: 23426567
CAS: 100667-71-8
LOTUS: LTS0242312
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astroides calycularis | Astroides | Dendrophylliidae | Scleractinia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 389.253
TPSA？: 69.39999999999999
MolLogP？: 3.1334700000000018
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|