Echinoclathrine C; S-Ac
AlkaPlorer ID: AK014716
Synonym: Echinoclathrine B
IUPAC Name: S-[13-[2-hydroxy-6-(2-methylpyridin-4-yl)anilino]-13-oxotridecyl] ethanethioate
Structure
SMILES: CC(=O)SCCCCCCCCCCCCC(O)=NC1=C(O)C=CC=C1C1=CC=NC(C)=C1
InChI: InChI=1S/C27H38N2O3S/c1-21-20-23(17-18-28-21)24-14-13-15-25(31)27(24)29-26(32)16-11-9-7-5-3-4-6-8-10-12-19-33-22(2)30/h13-15,17-18,20,31H,3-12,16,19H2,1-2H3,(H,29,32)
InChIKey: RNLSRTJLNQETPJ-UHFFFAOYSA-N
Reference
Echinoclathrines A–C: A new class of pyridine alkaloids from an Okinawan sponge, Echinoclathria sp.
PubChem CID: 10050416
LOTUS: LTS0208508
SuperNatural Ⅲ: SN0330183
COCONUT: CNP0174918
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Echinoclathria | Microcionidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 470.6790000000001
TPSA？: 82.78
MolLogP？: 7.921420000000008
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|