202855-03-6
AlkaPlorer ID: AK072734
Synonym: '', 'Celenamide E'
IUPAC Name: (2S)-2-[[(Z)-2-amino-3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]amino]-3-(6-bromo-1H-indol-3-yl)-N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]propanamide
Structure
SMILES: N/C(=C\C1=CC(O)=C(O)C(O)=C1)C(O)=N[C@@H](CC1=CNC2=CC(Br)=CC=C12)C(O)=N/C=C/C1=CC=C(O)C(O)=C1
InChI: InChI=1S/C28H25BrN4O7/c29-17-2-3-18-16(13-32-20(18)12-17)11-21(28(40)31-6-5-14-1-4-22(34)23(35)8-14)33-27(39)19(30)7-15-9-24(36)26(38)25(37)10-15/h1-10,12-13,21,32,34-38H,11,30H2,(H,31,40)(H,33,39)/b6-5+,19-7-/t21-/m0/s1
InChIKey: ILRKTUIGMMDKBH-DHPKZDIUSA-N
Reference
Celenamide E, a Tripeptide Alkaloid from the Patagonian Sponge <i>Cliona chilensis</i>
PubChem CID: 11801857
LOTUS: LTS0223307
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cliona chilensis | Cliona | Clionaidae | Clionaida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 609.4330000000001
TPSA？: 208.14
MolLogP？: 4.953200000000003
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | Activity | None | None | 10.1021/np9701945 |
| Enterococcus faecalis | Enterococcus faecalis | Activity | None | None | 10.1021/np9701945 |
| Micrococcus luteus | Micrococcus luteus | Activity | None | None | 10.1021/np9701945 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/np9701945 |