Molecule

Microsporin B

AlkaPlorer ID: AK306670

Synonym: None

IUPAC Name: 3-benzyl-9-(6-hydroxyoctyl)-6-methyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

Structure

SMILES: CCC(O)CCCCCC1N=C(O)C2CCCCN2C(=O)C(CC2=CC=CC=C2)N=C(O)C(C)N=C1O

InChI: InChI=1S/C28H42N4O5/c1-3-21(33)14-8-5-9-15-22-26(35)29-19(2)25(34)31-23(18-20-12-6-4-7-13-20)28(37)32-17-11-10-16-24(32)27(36)30-22/h4,6-7,12-13,19,21-24,33H,3,5,8-11,14-18H2,1-2H3,(H,29,35)(H,30,36)(H,31,34)

InChIKey: ZRWKFXOGNFQPMY-UHFFFAOYSA-N

Reference

Microsporins A and B: new histone deacetylase inhibitors from the marine-derived fungus Microsporum cf. gypseum and the solid-phase synthesis of microsporin A

PubChem CID: 162919100

LOTUS: LTS0239754

COCONUT: CNP0188492.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Microsporum	Arthrodermataceae	Onygenales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 514.6670000000003

TPSA？: 138.31

MolLogP？: 4.340400000000003

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi