Molecule

4-epi-seco-shornephine a methyl ester

AlkaPlorer ID: AK326524

Synonym: None

IUPAC Name: methyl (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]propanoate

Structure

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

InChI: InChI=1S/C26H30N2O6/c1-5-25(2,3)26(17-12-9-13-19(29)21(17)28-24(26)33)15-18(23(32)34-4)27-22(31)20(30)14-16-10-7-6-8-11-16/h5-13,18,20,29-30H,1,14-15H2,2-4H3,(H,27,31)(H,28,33)/t18-,20+,26-/m1/s1

InChIKey: NLJQJJGYCFVOFQ-ZTEVPRNISA-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: 156580566

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NPAtlas: NPA023313

Source

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

Properties Information

Molecule Weight: 466.5340000000002

TPSA？: 124.96000000000002

MolLogP？: 2.4458

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi