Molecule

Aplysinamisine II

AlkaPlorer ID: AK289001

Synonym: None

IUPAC Name: 7,9-dibromo-N-[5-(diaminomethylideneamino)pentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

Structure

SMILES: COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCCCCNC(=N)N)=NO2

InChI: InChI=1S/C16H23Br2N5O4/c1-26-12-9(17)7-16(13(24)11(12)18)8-10(23-27-16)14(25)21-5-3-2-4-6-22-15(19)20/h7,13,24H,2-6,8H2,1H3,(H,21,25)(H4,19,20,22)

InChIKey: GCYSDIFCRYTRFB-UHFFFAOYSA-N

Reference

The Structures of Aplysinamisines I, II, and III: New Bromotyrosine-Derived Alkaloids from the Caribbean Sponge Aplysina cauliformis

PubChem CID: 495683

CAS: 150417-68-8

LOTUS: LTS0008215

COCONUT: CNP0287434.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pseudovibrio denitrificans	Pseudovibrio	Stappiaceae	Hyphomicrobiales	Alphaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 509.1990000000004

TPSA？: 142.04999999999998

MolLogP？: 1.1772699999999998

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi