Molecule

Aerothionin; 2''-Hydroxy

AlkaPlorer ID: AK283406

Synonym: 11-Hydroxyaerothionin

IUPAC Name: 7,9-dibromo-N-[4-[(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]-3-hydroxybutyl]-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)NCCC(O)CNC(=O)C1=NOC3(C=C(Br)C(OC)=C(Br)C3O)C1)=NO2

InChI: InChI=1S/C24H26Br4N4O9/c1-38-17-11(25)5-23(19(34)15(17)27)7-13(31-40-23)21(36)29-4-3-10(33)9-30-22(37)14-8-24(41-32-14)6-12(26)18(39-2)16(28)20(24)35/h5-6,10,19-20,33-35H,3-4,7-9H2,1-2H3,(H,29,36)(H,30,37)

InChIKey: AROOVIRXACQMLA-UHFFFAOYSA-N

Reference

Chemistry of Verongida Sponges. 10. Secondary Metabolite Composition of the Caribbean Sponge <i>Verongula</i> <i>gigantea</i>

PubChem CID: 14636483

LOTUS: LTS0134115

COCONUT: CNP0129496.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pseudovibrio denitrificans	Pseudovibrio	Stappiaceae	Hyphomicrobiales	Alphaproteobacteria	Pseudomonadota	None	Bacteria
Aplysina lacunosa	Aplysina	Aplysinidae	Verongiida	Demospongiae	Porifera	Metazoa	Eukaryota
Aplysina caissara	Aplysina	Aplysinidae	Verongiida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 834.1070000000002

TPSA？: 180.53

MolLogP？: 1.8124

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi