Celenamide C
AlkaPlorer ID: AK066059
Synonym: ''
IUPAC Name: (2S,3R)-2-amino-N-[(Z)-3-[[(2S)-3-(6-bromo-1H-indol-3-yl)-1-[[(E)-2-(4-hydroxyphenyl)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=C1
InChI: InChI=1S/C34H36BrN5O7/c1-3-18(2)30(36)34(47)40-26(12-20-13-28(42)31(44)29(43)14-20)33(46)39-27(15-21-17-38-25-16-22(35)6-9-24(21)25)32(45)37-11-10-19-4-7-23(41)8-5-19/h4-14,16-18,27,30,38,41-44H,3,15,36H2,1-2H3,(H,37,45)(H,39,46)(H,40,47)/b11-10+,26-12-/t18-,27+,30+/m1/s1
InChIKey: PQFVZIDVFYWYFF-GUQMBZIISA-N
Reference
Celenamide E, a Tripeptide Alkaloid from the Patagonian Sponge <i>Cliona chilensis</i>
PubChem CID: 163105551
LOTUS: LTS0071632
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cliona chilensis | Cliona | Clionaidae | Clionaida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 706.5940000000002
TPSA？: 220.5
MolLogP？: 6.618800000000007
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|