Epolactaene

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Epolactaene

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Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Epolactaene
First synonym: None
Synonyms: Epolactaene,167782-17-4,4S7A4HLA92,METHYL (2E,3E,5E,9E)-2-ETHYLIDENE-11-[(1R,5R)-4-HYDROXY-4-METHYL-2-OXO-6-OXA-3-AZABICYCLO[3.1.0]HEXAN-1-YL]-4,10-DIMETHYL-11-OXOUNDECA-3,5,9-TRIENOATE,(+)-Epolactaene,methyl (2E,3E,5E,9E)-2-ethylidene-11-((1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl)-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate,Epolactaene, (+)-,UNII-4S7A4HLA92,CHEMBL183869,DTXSID301045462,HY-124552,CS-0086901,Q15410943,3,5,9-Undecatrienoic acid, 2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hex-1-yl]-4,10-dimethyl-11-oxo-, methyl ester, (2E,3E,5E,9E)-,METHYL (2E,3E,5E,9E)-2-ETHYLIDENE-11-((1R,5R)-4-HYDROXY-4-METHYL-2-OXO-6-OXA-3-AZABICYCLO(3.1.0)HEX-1-YL)-4,10-DIMETHYL-11-OXO-3,5,9-UNDECATRIENOATE

Smiles: CC=C(C=C(C)C=CCCC=C(C)C(=O)C12C(O1)C(NC2=O)(C)O)C(=O)OC
Isomeric smiles: C/C=C(\C=C(/C)\C=C\CC/C=C(\C)/C(=O)[C@@]12[C@@H](O1)C(NC2=O)(C)O)/C(=O)OC
Inchi: InChI=1S/C21H27NO6/c1-6-15(17(24)27-5)12-13(2)10-8-7-9-11-14(3)16(23)21-18(28-21)20(4,26)22-19(21)25/h6,8,10-12,18,26H,7,9H2,1-5H3,(H,22,25)/b10-8+,13-12+,14-11+,15-6+/t18-,20?,21-/m0/s1
Inchikey: GFRNQYUCUNYIEN-ZLXMTJSISA-N

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Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
933	Penicillium sp. BM1689-P