Echinoclathrine C
AlkaPlorer ID: AK014729
Synonym: None
IUPAC Name: N-[2-hydroxy-6-(2-methylpyridin-4-yl)phenyl]-13-sulfanyltridecanamide
Structure
SMILES: CC1=CC(C2=CC=CC(O)=C2N=C(O)CCCCCCCCCCCCS)=CC=N1
InChI: InChI=1S/C25H36N2O2S/c1-20-19-21(16-17-26-20)22-13-12-14-23(28)25(22)27-24(29)15-10-8-6-4-2-3-5-7-9-11-18-30/h12-14,16-17,19,28,30H,2-11,15,18H2,1H3,(H,27,29)
InChIKey: LWLWJXUSPCIEFG-UHFFFAOYSA-N
Reference
Echinoclathrines A–C: A new class of pyridine alkaloids from an Okinawan sponge, Echinoclathria sp.
PubChem CID: 10252005
LOTUS: LTS0257829
SuperNatural Ⅲ: SN0217293
COCONUT: CNP0400036
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Echinoclathria | Microcionidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 428.6420000000002
TPSA？: 65.71000000000001
MolLogP？: 7.571520000000008
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|