Bastadin 2
AlkaPlorer ID: AK001459
Synonym: None
IUPAC Name: 3-[3-bromo-5-[2,6-dibromo-4-[3-[2-(3-bromo-4-hydroxyphenyl)ethylamino]-2-hydroxyimino-3-oxopropyl]phenoxy]-4-hydroxyphenyl]-N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-2-hydroxyiminopropanamide
Structure
SMILES: O=C(NCCC1=CC(Br)=C(O)C=C1)C(CC1=CC(Br)=C(OC2=C(O)C(Br)=CC(CC(=NO)C(=O)NCCC3=CC(Br)=C(O)C=C3)=C2)C(Br)=C1)=NO
InChI: InChI=1S/C34H29Br5N4O8/c35-21-9-17(1-3-28(21)44)5-7-40-33(47)26(42-49)14-19-12-24(38)32(25(39)13-19)51-30-16-20(11-23(37)31(30)46)15-27(43-50)34(48)41-8-6-18-2-4-29(45)22(36)10-18/h1-4,9-13,16,44-46,49-50H,5-8,14-15H2,(H,40,47)(H,41,48)
InChIKey: QLFAUNSOSUFDDN-UHFFFAOYSA-N
Reference
New bastadins from the sponge Ianthella basta
PubChem CID: 73120568
LOTUS: LTS0151156
COCONUT: CNP0169149
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1021.146
TPSA？: 193.3
MolLogP？: 7.871400000000007
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|