Celenamide B
AlkaPlorer ID: AK037031
Synonym: ''
IUPAC Name: (2R)-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-methylbutanamide
Structure
SMILES: CC(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/C33H34BrN5O8/c1-16(2)29(35)33(47)39-23(9-18-11-27(42)30(44)28(43)12-18)32(46)38-24(13-19-15-37-22-14-20(34)4-5-21(19)22)31(45)36-8-7-17-3-6-25(40)26(41)10-17/h3-12,14-16,24,29,37,40-44H,13,35H2,1-2H3,(H,36,45)(H,38,46)(H,39,47)/b8-7+,23-9-/t24-,29+/m0/s1
InChIKey: QFRVOMGCDKHOEB-FWFJNCKTSA-N
Reference
Celenamide E, a Tripeptide Alkaloid from the Patagonian Sponge <i>Cliona chilensis</i>
PubChem CID: 162875118
LOTUS: LTS0117631
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cliona chilensis | Cliona | Clionaidae | Clionaida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 708.5660000000001
TPSA？: 240.73
MolLogP？: 5.934300000000008
Number of H-Donors: 10
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|