Myrothecoside

AlkaPlorer ID: AK307217

Synonym: None

IUPAC Name: None

Structure

SMILES: COC1C(CO)OC(OC(C=CC2C(C)C=CC3CC(C)CC(C)C32)CC(O)CC(N)=O)C(O)C1O

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InChI: InChI=1S/C27H45NO8/c1-14-9-16(3)23-17(10-14)6-5-15(2)20(23)8-7-19(11-18(30)12-22(28)31)35-27-25(33)24(32)26(34-4)21(13-29)36-27/h5-8,14-21,23-27,29-30,32-33H,9-13H2,1-4H3,(H2,28,31)

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InChIKey: MAEAHJWRAJIOQG-UHFFFAOYSA-N

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Reference

CAS: 1900700-27-7

Source

Properties Information

Molecule Weight: 511.6560000000004

TPSA: 151.7

MolLogP: 1.1287000000000014

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information