127687-07-4
AlkaPlorer ID: AK038412
Synonym: None
IUPAC Name: None
Structure
SMILES: O=C1NCCC2=CC(=C(O)C=C2)OC2=CC=C(C=C2Br)CCNC(=O)C(=NO)CC2=CC(Br)=C(O)C(=C2)OC2=C(Br)C=C(C=C2Br)CC1=NO
InChI: InChI=1S/C34H28Br4N4O8/c35-21-9-17-2-4-28(21)49-29-15-18(1-3-27(29)43)6-8-40-33(45)25(41-47)13-19-11-23(37)32(24(38)12-19)50-30-16-20(10-22(36)31(30)44)14-26(42-48)34(46)39-7-5-17/h1-4,9-12,15-16,43-44,47-48H,5-8,13-14H2,(H,39,46)(H,40,45)
InChIKey: IHQGNSPVGIMQBJ-UHFFFAOYSA-N
Reference
New bastadins from the sponge Ianthella basta
PubChem CID: 78408256
LOTUS: LTS0216641
COCONUT: CNP0163819
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella basta | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 940.234
TPSA？: 182.3
MolLogP？: 7.509000000000007
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|