Yanuthone E

Download

Yanuthone E

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Yanuthone E
First synonym: None
Synonyms: Yanuthone E,CHEBI:133840,3-hydroxy-5-[[(1R,2R,6R)-2-hydroxy-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy]-3-methyl-5-oxopentanoic acid,((1R,2R)-2-Hydroxy-5-oxo-6-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-3-yl)methyl 3-hydroxy-3-methyl-5-oxohexanoic acid,[(1R,2R)-2-Hydroxy-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl 3-hydroxy-3-methyl-5-oxohexanoic acid,3-hydroxy-5-(((1R,2R,6R)-2-hydroxy-5-oxo-6-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)-7-oxabicyclo(4.1.0)hept-3-en-3-yl)methoxy)-3-methyl-5-oxopentanoic acid,3-hydroxy-5-({(1R,2R,6R)-2-hydroxy-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methoxy)-3-methyl-5-oxopentanoic acid

Smiles: CC(=CCCC(=CCCC(=CCC12C(O1)C(C(=CC2=O)COC(=O)CC(C)(CC(=O)O)O)O)C)C)C
Isomeric smiles: CC(=CCC/C(=C/CC/C(=C/C[C@]12[C@H](O1)[C@@H](C(=CC2=O)COC(=O)CC(C)(CC(=O)O)O)O)/C)/C)C
Inchi: InChI=1S/C28H40O8/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-28-22(29)14-21(25(33)26(28)36-28)17-35-24(32)16-27(5,34)15-23(30)31/h8,10,12,14,25-26,33-34H,6-7,9,11,13,15-17H2,1-5H3,(H,30,31)/b19-10+,20-12+/t25-,26-,27?,28+/m1/s1
Inchikey: FNYGZAACUPOPCK-UUISPAEBSA-N

Select an endpoint:

Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference

Select an endpoint:

Category	Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference

Select an endpoint:

Category	Sub category	Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference

Select an endpoint:

Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
869	Penicillium notatum