Molecule

Pretenellin A

AlkaPlorer ID: AK067971

Synonym: None

IUPAC Name: (5S)-3-[(2E,4E,6R)-1-hydroxy-4,6-dimethylocta-2,4-dienylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione

Structure

SMILES: CC[C@@H](C)/C=C(C)/C=C/C(O)=C1C(=O)[C@H](CC2=CC=C(O)C=C2)N=C1O

InChI: InChI=1S/C21H25NO4/c1-4-13(2)11-14(3)5-10-18(24)19-20(25)17(22-21(19)26)12-15-6-8-16(23)9-7-15/h5-11,13,17,23-24H,4,12H2,1-3H3,(H,22,26)/b10-5+,14-11+,19-18?/t13-,17+/m1/s1

InChIKey: UHGQPXFZDZCXRO-WHLPDFMQSA-N

Reference

Authentic Heterologous Expression of the Tenellin Iterative Polyketide Synthase Nonribosomal Peptide Synthetase Requires Coexpression with an Enoyl Reductase

PubChem CID: 139588359

LOTUS: LTS0050032

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NPAtlas: NPA018850

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Bassiana	Scincidae	Squamata	Lepidosauria	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 355.434

TPSA？: 90.12

MolLogP？: 4.203200000000003

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi