8,9-Dihydrobarettin
AlkaPlorer ID: AK005584
Synonym: None
IUPAC Name: 2-[3-[5-[(6-bromo-1H-indol-3-yl)methyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine;2,2,2-trifluoroacetic acid
Structure
SMILES: C1=CC2=C(C=C1Br)NC=C2CC3C(=O)NC(C(=O)N3)CCCN=C(N)N.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C17H21BrN6O2.C2HF3O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20;3-2(4,5)1(6)7/h3-4,7-8,12,14,22H,1-2,5-6H2,(H,23,26)(H,24,25)(H4,19,20,21);(H,6,7)
InChIKey: YPQZHDIFCNYAMS-UHFFFAOYSA-N
Reference
PubChem CID: 49797534
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Geodia barretti | Geodia | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 535.3210000000004
TPSA？: 175.68999999999997
MolLogP？: 1.1430000000000002
Number of H-Donors: 6
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Amphibalanus improvisus | Amphibalanus improvisus | Activity | nan | None | 10.1021/np0302403 |
| Amphibalanus improvisus | Amphibalanus improvisus | EC50 | 7000.0 | nM | 10.1021/np0302403 |
| Amphibalanus improvisus | Amphibalanus improvisus | EC50 | 7900.0 | nM | 10.1021/np0302403 |
| Amphibalanus improvisus | Amphibalanus improvisus | LC50 | 4.0 | ug.mL-1 | 10.1021/np0302403 |