Epicoccamide A; 3'-Ac

AlkaPlorer ID: AK297511

Synonym: Epicoccamide B

IUPAC Name: [2-[16-(1,5-dimethyl-2,4-dioxopyrrolidin-3-ylidene)-16-hydroxy-15-methylhexadecoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate

Structure

SMILES: CC(=O)OC1C(O)C(CO)OC(OCCCCCCCCCCCCCCC(C)C(=O)C2=C(O)N(C)C(C)C2=O)C1O

copy

InChI: InChI=1S/C31H53NO10/c1-20(25(35)24-26(36)21(2)32(4)30(24)39)17-15-13-11-9-7-5-6-8-10-12-14-16-18-40-31-28(38)29(41-22(3)34)27(37)23(19-33)42-31/h20-21,23,27-29,31,33,37-39H,5-19H2,1-4H3

copy

InChIKey: JHQOGDPWNIOQFH-UHFFFAOYSA-N

copy

Reference

CAS: 959855-22-2

COCONUT: CNP0137864.3

Source

Species Genus Family Order Class Phylum Kingdom Domain
Epicoccum sp. Epicoccum Didymellaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 599.7620000000005

TPSA: 163.06

MolLogP: 3.3228000000000004

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information