Molecule

Epicoccin T

AlkaPlorer ID: AK078172

Synonym: None

IUPAC Name: (1R,4R,5S,9S,11R,14S,15S,18S,19S)-5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12-trione

Structure

SMILES: O=C1CC[C@H](O)[C@H]2[C@@H]1C[C@@]13SS[C@]4(C[C@H]5[C@@H]([C@@H](O)CC[C@@H]5O)N4C1=O)C(=O)N23

InChI: InChI=1S/C18H22N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-9,11-14,21,23-24H,1-6H2/t7-,8-,9+,11+,12+,13+,14-,17-,18-/m1/s1

InChIKey: ZJUQZCAFDJFOTB-SFCFVZBVSA-N

Reference

Thiodiketopiperazines Produced by the Endophytic Fungus <i>Epicoccum nigrum</i>

PubChem CID: 46873164

LOTUS: LTS0089455

SuperNatural Ⅲ: SN0472312-01

NPASS: NPC177440

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NPAtlas: NPA018666

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: 426.5160000000002

TPSA？: 118.37999999999998

MolLogP？: -0.5388000000000004

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi