Molecule

T988 A

AlkaPlorer ID: AK040082

Synonym: None

IUPAC Name: (1S,2S,3R,11R,14S)-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)[C@]23SSS[C@@]1(CO)C(=O)N2[C@H]1NC2=CC=CC=C2[C@@]1(C1=CNC2=CC=CC=C12)[C@@H]3O

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/t17-,18+,21-,22+,23-/m0/s1

InChIKey: LNPYPYPXOCKQQO-PHXJMUFTSA-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: 21574229

LOTUS: LTS0261733

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NPAtlas: NPA002032

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