Senaetnine

AlkaPlorer ID: AK028021

Synonym: '', 'Senaetnine'

IUPAC Name: [(1S,4E,6R,7R)-4-ethylidene-6,7-dimethyl-3,8,15-trioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadeca-11(17),12-dien-7-yl] acetate

Structure

SMILES: C/C=C1\C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=C3[C@H](CC(=O)N3C=C2)OC1=O

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InChI: InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3/b13-5+/t11-,15+,20-/m1/s1

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InChIKey: NTGIQQBAUYBEBF-KYRPGFEVSA-N

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Source

Properties Information

Molecule Weight: 389.4040000000001

TPSA: 100.90000000000003

MolLogP: 2.4674000000000005

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information