Molecule

Erinacerin E

AlkaPlorer ID: AK081089

Synonym: None

IUPAC Name: (2E,6E)-8-[2-[(1S)-1-carboxy-2-methylpropyl]-4,6-dihydroxy-1-oxo-3H-isoindol-5-yl]-2,6-dimethylocta-2,6-dienoic acid

Structure

SMILES: C/C(=C\CC1=C(O)C=C2C(=O)N([C@H](C(=O)O)C(C)C)CC2=C1O)CC/C=C(\C)C(=O)O

InChI: InChI=1S/C23H29NO7/c1-12(2)19(23(30)31)24-11-17-16(21(24)27)10-18(25)15(20(17)26)9-8-13(3)6-5-7-14(4)22(28)29/h7-8,10,12,19,25-26H,5-6,9,11H2,1-4H3,(H,28,29)(H,30,31)/b13-8+,14-7+/t19-/m0/s1

InChIKey: WZPQGZXKERSUDY-BMIBEWIESA-N

Reference

Erinacerins C–L, Isoindolin-1-ones with α-Glucosidase Inhibitory Activity from Cultures of the Medicinal Mushroom <i>Hericium erinaceus</i>

PubChem CID: 101910491

LOTUS: LTS0238146

NPASS: NPC482876

{

NPAtlas: NPA007427

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Hericium erinaceus	Hericium	Hericiaceae	Russulales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
None	Erinaceus	Erinaceidae	Eulipotyphla	Mammalia	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 431.4850000000003

TPSA？: 135.37

MolLogP？: 3.4627000000000017

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	100000.0	nM	10.1021/np5004388
Homo sapiens	HeLa	IC50	100000.0	nM	10.1021/np5004388
None	Unchecked	IC50	12800.0	nM	10.1021/np5004388