Emestrin
AlkaPlorer ID: AK297383
Synonym: Mycotoxin EQ-1
IUPAC Name: 19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione
Structure
SMILES: COC1=CC=C2C=C1OC1=CC(=CC=C1O)C(O)C13SSC4(C(=O)N1C)C(O)C1=COC=CC(OC2=O)C1N4C3=O
InChI: InChI=1S/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-8-7-17-20(14)29(27)25(35)26(28,40-41-27)21(31)12-3-5-15(30)18(9-12)38-19-10-13(23(33)39-17)4-6-16(19)36-2/h3-11,17,20-22,30-32H,1-2H3
InChIKey: UWWYWUMDYAWTKK-UHFFFAOYSA-N
Reference
An epitetrathiodioxopiperazine related to emestrin from Emericella foveolata
PubChem CID: 15596085
LOTUS: LTS0146418
COCONUT: CNP0108583.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Verticimonosporium | None | None | None | Ascomycota | Fungi | Eukaryota |
| None | Armillaria | Physalacriaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 598.6110000000001
TPSA？: 155.3
MolLogP？: 2.0245999999999995
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|