Paltolide A; 6''-Chloro, 5''-hydroxy, N13-Me
AlkaPlorer ID: AK259956
Synonym: None
IUPAC Name: 2-[[3-[(6-chloro-5-hydroxy-1H-indol-3-yl)methyl]-7,12-dimethyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)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(Cl)=C(O)C=C23)N=C(O)C(CC(C)C)N(C)C1=O
InChI: InChI=1S/C40H62ClN11O9/c1-20(2)14-30-37(58)52(6)31(15-21(3)4)36(57)48-29(16-23-19-46-28-18-25(41)32(53)17-24(23)28)34(55)44-12-8-7-10-26(35(56)47-22(5)33(54)49-30)50-40(61)51-27(38(59)60)11-9-13-45-39(42)43/h17-22,26-27,29-31,46,53H,7-16H2,1-6H3,(H,44,55)(H,47,56)(H,48,57)(H,49,54)(H,59,60)(H4,42,43,45)(H2,50,51,61)
InChIKey: SBRDICXOWWETEM-UHFFFAOYSA-N
Reference
Paltolides A−C, Anabaenopeptin-Type Peptides from the Palau Sponge <i>Theonella swinhoei</i>
PubChem CID: 72819069
LOTUS: LTS0014338
COCONUT: CNP0135322
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: 876.457
TPSA？: 330.51000000000005
MolLogP？: 4.712870000000009
Number of H-Donors: 12
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|