(2Z)-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-3-(3-bromo-5-{2-bromo-4-[(2Z)-2-{[2-(3-bromo-4-hydroxyphenyl)ethyl]carbamoyl}-2-(hydroxyimino)ethyl]phenoxy}-4-hydroxyphenyl)-2-(N-hydroxyimino)propanamide
AlkaPlorer ID: AK000913
Synonym: None
IUPAC Name: 3-[3-bromo-4-[3-bromo-5-[3-[2-(3-bromo-4-hydroxyphenyl)ethylamino]-2-hydroxyimino-3-oxopropyl]-2-hydroxyphenoxy]phenyl]-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide
Structure
SMILES: O=C(NCCC1=CC=C(O)C(Br)=C1)C(CC1=CC=C(OC2=CC(CC(=NO)C(=O)NCCC3=CC=C(O)C(Br)=C3)=CC(Br)=C2O)C(Br)=C1)=NO
InChI: InChI=1S/C34H30Br4N4O8/c35-22-11-18(1-4-28(22)43)7-9-39-33(46)26(41-48)15-20-3-6-30(24(37)13-20)50-31-17-21(14-25(38)32(31)45)16-27(42-49)34(47)40-10-8-19-2-5-29(44)23(36)12-19/h1-6,11-14,17,43-45,48-49H,7-10,15-16H2,(H,39,46)(H,40,47)
InChIKey: RURSOOIGTCPMID-UHFFFAOYSA-N
Reference
Brominated tyrosine-derived metabolites from the sponge Ianthella basta
PubChem CID: 74051224
LOTUS: LTS0169935
COCONUT: CNP0281764
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella basta | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 942.2500000000005
TPSA？: 193.3
MolLogP？: 7.1089000000000055
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|