Molecule

Gliocladine C; Trisulfide analogue, 13-hydroxy

AlkaPlorer ID: AK299272

Synonym: Antibiotic T 988A, T 988A

IUPAC Name: 2-hydroxy-14-(hydroxymethyl)-3-(1H-indol-3-yl)-19-methyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione

Structure

SMILES: CN1C(=O)C23SSSC1(CO)C(=O)N2C1NC2=CC=CC=C2C1(C1=CNC2=CC=CC=C12)C3O

InChI: InChI=1S/C23H20N4O4S3/c1-26-20(31)23-17(29)22(14-10-24-15-8-4-2-6-12(14)15)13-7-3-5-9-16(13)25-18(22)27(23)19(30)21(26,11-28)32-34-33-23/h2-10,17-18,24-25,28-29H,11H2,1H3

InChIKey: LNPYPYPXOCKQQO-UHFFFAOYSA-N

Reference

Plectosphaeroic Acids A, B, and C, Indoleamine 2,3-Dioxygenase Inhibitors Produced in Culture by a Marine Isolate of the Fungus <i>Plectosphaerella cucumerina</i>

PubChem CID: 72758823

LOTUS: LTS0016976

COCONUT: CNP0329178.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Tilachlidium sp.	Tilachlidium	Tilachlidiaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 512.6380000000001

TPSA？: 108.90000000000002

MolLogP？: 2.3088

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi