Molecule

4-epi-seco-shornephine a carboxylic acid

AlkaPlorer ID: AK326525

Synonym: None

IUPAC Name: (2R)-3-[(3R)-7-hydroxy-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-indol-3-yl]-2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoic acid

Structure

SMILES: C=CC(C)(C)[C@@]1(C[C@@H](NC(=O)[C@@H](O)CC2=CC=CC=C2)C(=O)O)C(=O)NC2=C(O)C=CC=C21

InChI: InChI=1S/C25H28N2O6/c1-4-24(2,3)25(16-11-8-12-18(28)20(16)27-23(25)33)14-17(22(31)32)26-21(30)19(29)13-15-9-6-5-7-10-15/h4-12,17,19,28-29H,1,13-14H2,2-3H3,(H,26,30)(H,27,33)(H,31,32)/t17-,19+,25-/m1/s1

InChIKey: TXVLBRMNUYNGCT-VDABOFBKSA-N

Reference

Two New Diketomorpholine Derivatives and a New Highly Conjugated Ergostane-Type Steroid from the Marine Algal-Derived Endophytic Fungus Aspergillus alabamensis EN-547

PubChem CID: 156580567

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NPAtlas: NPA023314

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus alabamensis	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 452.5070000000002

TPSA？: 135.96

MolLogP？: 2.3574

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi