Molecule

Bisdethiobis(methylthio)deacetylapoaranotin

AlkaPlorer ID: AK290703

Synonym: Didethiobis(methylthio)deacetylapoaranotin

IUPAC Name: 5,15-dihydroxy-1,11-bis(methylsulfanyl)-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraene-2,12-dione

Structure

SMILES: CSC12CC3=CC=CC(O)C3N1C(=O)C1(SC)CC3=COC=CC(O)C3N1C2=O

InChI: InChI=1S/C20H22N2O5S2/c1-28-19-8-11-4-3-5-13(23)15(11)21(19)18(26)20(29-2)9-12-10-27-7-6-14(24)16(12)22(20)17(19)25/h3-7,10,13-16,23-24H,8-9H2,1-2H3

InChIKey: AVDUYOJPBSBNCQ-UHFFFAOYSA-N

Reference

Bioactive Compounds from the Seed Fungus <i>Menisporopsis </i><i>theobromae</i> BCC 3975

PubChem CID: 73240759

LOTUS: LTS0123206

COCONUT: CNP0171895.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Menisporopsis theobromae	Menisporopsis	Chaetosphaeriaceae	Chaetosphaeriales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Aspergillus terreus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Graphium	Graphiaceae	Microascales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
None	Pseudallescheria	Microascaceae	Microascales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 434.53900000000016

TPSA？: 90.31

MolLogP？: 0.9661999999999996

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi