Aerothionin; 2'',3''-Dihydroxy
AlkaPlorer ID: AK283401
Synonym: 11,12-Dihydroxyaerothionin
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]-2,3-dihydroxybutyl]-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)NCC(O)C(O)CNC(=O)C1=NOC3(C=C(Br)C(OC)=C(Br)C3O)C1)=NO2
InChI: InChI=1S/C24H26Br4N4O10/c1-39-17-9(25)3-23(19(35)15(17)27)5-11(31-41-23)21(37)29-7-13(33)14(34)8-30-22(38)12-6-24(42-32-12)4-10(26)18(40-2)16(28)20(24)36/h3-4,13-14,19-20,33-36H,5-8H2,1-2H3,(H,29,37)(H,30,38)
InChIKey: DFLWEHSTGDSEII-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verongula rigida | Verongula | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 850.1060000000001
TPSA？: 200.76
MolLogP？: 0.7831999999999999
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|