Molecule

TR-2

AlkaPlorer ID: AK018125

Synonym: None

IUPAC Name: (1R,2S,12S,15S)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione

Structure

SMILES: COC1=CC=C2C3=C(NC2=C1)[C@H](CC(C)(C)O)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O

InChI: InChI=1S/C22H27N3O6/c1-21(2,29)10-15-17-16(12-7-6-11(31-3)9-13(12)23-17)18(26)22(30)20(28)24-8-4-5-14(24)19(27)25(15)22/h6-7,9,14-15,18,23,26,29-30H,4-5,8,10H2,1-3H3/t14-,15-,18-,22+/m0/s1

InChIKey: PIWNJAZCHHBADQ-MECALSEWSA-N

Reference

Penicillium Toxins

PubChem CID: 100721

CAS: 51177-07-2

LOTUS: LTS0093807

NPASS: NPC256747

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NPAtlas: NPA012061

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Eremanthus glomerulatus	Eremanthus	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fusarium cerealis	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Zanthoxylum ovalifolium	Zanthoxylum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Talaromyces verruculosus	Talaromyces	Trichocomaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 429.4730000000002

TPSA？: 126.33

MolLogP？: 0.9473999999999998

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi