Molecule

Epicoccin B

AlkaPlorer ID: AK065773

Synonym: None

IUPAC Name: (1R,4S,5R,6R,7S,9R,11R,14S,15R,16R,19R)-5,6,15-trihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.17,11.01,13.03,11.04,9.014,19]tricosane-2,8,12,18-tetrone

Structure

SMILES: O=C1C[C@H]2SS[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)[C@@H](S1)[C@H](O)[C@H](O)[C@H]3N2C4=O

InChI: InChI=1S/C18H18N2O7S3/c21-6-1-7-11(23)8-4(6)2-18(30-29-7)16(27)19-9-5-3-17(19,15(26)20(8)18)28-14(10(5)22)13(25)12(9)24/h4-5,7-9,11-14,23-25H,1-3H2/t4-,5+,7+,8-,9-,11-,12+,13+,14+,17+,18+/m0/s1

InChIKey: SPLIJUQASWTCRI-KZOHNSNHSA-N

Reference

Epicoccins A–D, Epipolythiodioxopiperazines from a Cordyceps-Colonizing Isolate of Epicoccum nigrum

PubChem CID: 23642607

LOTUS: LTS0126798

SuperNatural Ⅲ: SN0351828-03

NPASS: NPC165426

{

NPAtlas: NPA013935

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Reticulitermes virginicus	Reticulitermes	Rhinotermitidae	Blattodea	Insecta	Arthropoda	Metazoa	Eukaryota
Fleroya rubrostipulata	Fleroya	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia peplus	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Epicoccum nigrum	Epicoccum	Didymellaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Cremastosperma microcarpum	Cremastosperma	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 470.5500000000002

TPSA？: 135.45000000000002

MolLogP？: -1.6559999999999997

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi