Barettin; 8,9-Dihydro
AlkaPlorer ID: AK290176
Synonym: 8,9-Dihydrobarettin
IUPAC Name: 2-[3-[5-[(6-bromo-1H-indol-3-yl)methyl]-3,6-dioxopiperazin-2-yl]propyl]guanidine
Structure
SMILES: N=C(N)NCCCC1N=C(O)C(CC2=CNC3=CC(Br)=CC=C23)N=C1O
InChI: InChI=1S/C17H21BrN6O2/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/h3-4,7-8,12,14,22H,1-2,5-6H2,(H,23,26)(H,24,25)(H4,19,20,21)
InChIKey: HVWYYWIRLPBRTO-UHFFFAOYSA-N
Reference
Antifouling Activity of Brominated Cyclopeptides from the Marine Sponge <i>Geodia barretti</i>
PubChem CID: 21576224
CAS: 672954-16-4
LOTUS: LTS0046530
COCONUT: CNP0274984.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Geodia barretti | Geodia | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 421.2990000000001
TPSA？: 142.87
MolLogP？: 2.3999700000000006
Number of H-Donors: 6
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|