Paltolide A; N13-Me
AlkaPlorer ID: AK223045
Synonym: None
IUPAC Name: 5-(diaminomethylideneamino)-2-[[3-(1H-indol-3-ylmethyl)-7,12-dimethyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]pentanoic acid
Structure
SMILES: CC(C)CC1N=C(O)C(C)N=C(O)C(N=C(O)NC(CCCNC(=N)N)C(=O)O)CCCCN=C(O)C(CC2=CNC3=CC=CC=C23)N=C(O)C(CC(C)C)N(C)C1=O
InChI: InChI=1S/C40H63N11O8/c1-22(2)18-31-37(56)51(6)32(19-23(3)4)36(55)47-30(20-25-21-45-27-13-8-7-12-26(25)27)34(53)43-16-10-9-14-28(35(54)46-24(5)33(52)48-31)49-40(59)50-29(38(57)58)15-11-17-44-39(41)42/h7-8,12-13,21-24,28-32,45H,9-11,14-20H2,1-6H3,(H,43,53)(H,46,54)(H,47,55)(H,48,52)(H,57,58)(H4,41,42,44)(H2,49,50,59)
InChIKey: GDVYIWRRGZQQKO-UHFFFAOYSA-N
Reference
Paltolides A−C, Anabaenopeptin-Type Peptides from the Palau Sponge <i>Theonella swinhoei</i>
PubChem CID: 162852247
LOTUS: LTS0197320
COCONUT: CNP0114704
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Melophlus | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Theonella swinhoei | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 826.013
TPSA？: 310.28000000000003
MolLogP？: 4.3538700000000095
Number of H-Donors: 11
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|