seco-chaetomugilin D

Download

seco-chaetomugilin D

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: seco-chaetomugilin D
First synonym: None
Synonyms: Seco-Chaetomugilin D,Methyl (6as,8R,9R,9as)-5-chloro-8-hydroxy-8-((2R,3R)-3-hydroxybutan-2-yl)-6a-methyl-3-((1E,3S)-3-methylpent-1-en-1-yl)-6-oxo-6H,6ah,8H,9H,9ah-furo(2,3-H)isochromene-9-carboxylic acid,methyl (6aS,8R,9R,9aS)-5-chloro-8-hydroxy-8-((2R,3R)-3-hydroxybutan-2-yl)-6a-methyl-3-((E,3S)-3-methylpent-1-enyl)-6-oxo-9,9a-dihydrofuro(2,3-h)isochromene-9-carboxylate,Methyl (6as,8R,9R,9as)-5-chloro-8-hydroxy-8-[(2R,3R)-3-hydroxybutan-2-yl]-6a-methyl-3-[(1E,3S)-3-methylpent-1-en-1-yl]-6-oxo-6H,6ah,8H,9H,9ah-furo[2,3-H]isochromene-9-carboxylic acid,methyl (6aS,8R,9R,9aS)-5-chloro-8-hydroxy-8-[(2R,3R)-3-hydroxybutan-2-yl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-6-oxo-9,9a-dihydrofuro[2,3-h]isochromene-9-carboxylate,CHEBI:225154,methyl (6aS,8R,9R,9aS)-5-chloro-8-hydroxy-8-[(2R,3R)-3-hydroxybutan-2-yl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-6-oxo-9,9a-dihydrouro[2,3-h]isochromene-9-carboxylate

Smiles: CCC(C)C=CC1=CC2=C(C(=O)C3(C(C2=CO1)C(C(O3)(C(C)C(C)O)O)C(=O)OC)C)Cl
Isomeric smiles: CC[C@H](C)/C=C/C1=CC2=C(C(=O)[C@@]3([C@H](C2=CO1)[C@H]([C@](O3)([C@H](C)[C@@H](C)O)O)C(=O)OC)C)Cl
Inchi: InChI=1S/C24H31ClO7/c1-7-12(2)8-9-15-10-16-17(11-31-15)18-19(22(28)30-6)24(29,13(3)14(4)26)32-23(18,5)21(27)20(16)25/h8-14,18-19,26,29H,7H2,1-6H3/b9-8+/t12-,13+,14+,18+,19-,23-,24+/m0/s1
Inchikey: YNPCOGQBGAEJQN-OPLDBLFRSA-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
338	Chaetomium globosum OUPS-T106B-6