Celenamide A
AlkaPlorer ID: AK071926
Synonym: ''
IUPAC Name: (2R,3R)-2-amino-N-[(Z)-3-[[(2S)-3-(6-bromo-1H-indol-3-yl)-1-[[(E)-2-(3,4-dihydroxyphenyl)ethenyl]amino]-1-oxopropan-2-yl]amino]-3-oxo-1-(3,4,5-trihydroxyphenyl)prop-1-en-2-yl]-3-methylpentanamide
Structure
SMILES: CC[C@@H](C)[C@@H](N)C(O)=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/C34H36BrN5O8/c1-3-17(2)30(36)34(48)40-24(10-19-12-28(43)31(45)29(44)13-19)33(47)39-25(14-20-16-38-23-15-21(35)5-6-22(20)23)32(46)37-9-8-18-4-7-26(41)27(42)11-18/h4-13,15-17,25,30,38,41-45H,3,14,36H2,1-2H3,(H,37,46)(H,39,47)(H,40,48)/b9-8+,24-10-/t17-,25+,30-/m1/s1
InChIKey: GMIGULOYGDBTFX-VVLBWZFQSA-N
Reference
Celenamide E, a Tripeptide Alkaloid from the Patagonian Sponge <i>Cliona chilensis</i>
PubChem CID: 163104145
LOTUS: LTS0092341
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cliona chilensis | Cliona | Clionaidae | Clionaida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 722.5930000000002
TPSA？: 240.73
MolLogP？: 6.324400000000008
Number of H-Donors: 10
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|