Bastadin 3
AlkaPlorer ID: AK002116
Synonym: ''
IUPAC Name: 3-[3-bromo-5-[3-bromo-5-[3-[2-(3-bromo-4-hydroxyphenyl)ethylamino]-2-hydroxyimino-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide
Structure
SMILES: O=C(NCCC1=CC=C(O)C(Br)=C1)C(CC1=CC(Br)=C(O)C(C2=CC(CC(=NO)C(=O)NCCC3=CC=C(O)C(Br)=C3)=CC(Br)=C2O)=C1)=NO
InChI: InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,43-46,49-50H,5-8,15-16H2,(H,39,47)(H,40,48)
InChIKey: XEGSWNKCRGYRFG-UHFFFAOYSA-N
Reference
Brominated tyrosine-derived metabolites from the sponge Ianthella basta
PubChem CID: 73190845
CAS: 79067-77-9
LOTUS: LTS0082105
COCONUT: CNP0364702
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella basta | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 942.25
TPSA？: 204.3
MolLogP？: 6.689200000000008
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|