Paltolide A; 6''-Chloro, N13-Me
AlkaPlorer ID: AK268476
Synonym: None
IUPAC Name: 2-[[3-[(6-chloro-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)=CC=C23)N=C(O)C(CC(C)C)N(C)C1=O
InChI: InChI=1S/C40H62ClN11O8/c1-21(2)16-31-37(57)52(6)32(17-22(3)4)36(56)48-30(18-24-20-46-29-19-25(41)12-13-26(24)29)34(54)44-14-8-7-10-27(35(55)47-23(5)33(53)49-31)50-40(60)51-28(38(58)59)11-9-15-45-39(42)43/h12-13,19-23,27-28,30-32,46H,7-11,14-18H2,1-6H3,(H,44,54)(H,47,55)(H,48,56)(H,49,53)(H,58,59)(H4,42,43,45)(H2,50,51,60)
InChIKey: SMGZZYPQBGMCMR-UHFFFAOYSA-N
Reference
Paltolides A−C, Anabaenopeptin-Type Peptides from the Palau Sponge <i>Theonella swinhoei</i>
PubChem CID: 163021090
LOTUS: LTS0109590
COCONUT: CNP0297606
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: 860.458
TPSA？: 310.28000000000003
MolLogP？: 5.00727000000001
Number of H-Donors: 11
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|