trisorbicillinone d

Formula: C42H48O12
Molecular weight: 744.80
Smiles: CC=CC=CC(=C1C2C(C(C(C1=O)(C(=O)C2(C)O)C)C=CC(=C3C4C5(C(=O)C(=C(C=CC=CC)O)C6C(C3=O)(C7(C4(OC5(C6(O7)C)O)C)O)C)C)O)C)O

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trisorbicillinone d

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Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: trisorbicillinone d
First synonym: None
Synonyms: Trisorbicillinone D,CHEBI:203142,(1S,3S,4R,7R,8R,10R,11R,14R)-3,10-dihydroxy-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-13-[(E)-1-hydroxy-3-[(1R,2S,3S,4S,5S)-5-hydroxy-8-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3,5-trimethyl-6,7-dioxo-2-bicyclo[2.2.2]octanyl]prop-2-enylidene]-1,4,8,11-tetramethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradecane-5,12-dione

Smiles: CC=CC=CC(=C1C2C(C(C(C1=O)(C(=O)C2(C)O)C)C=CC(=C3C4C5(C(=O)C(=C(C=CC=CC)O)C6C(C3=O)(C7(C4(OC5(C6(O7)C)O)C)O)C)C)O)C)O
Isomeric smiles: C/C=C/C=C/C(=C1[C@@H]2[C@H]([C@@H]([C@](C1=O)(C(=O)[C@@]2(C)O)C)/C=C/C(=C3[C@@H]4[C@@]5(C(=O)C(=C(/C=C/C=C/C)O)[C@@H]6[C@](C3=O)([C@@]7([C@]4(O[C@@]5([C@@]6(O7)C)O)C)O)C)C)O)C)O
Inchi: InChI=1S/C42H48O12/c1-10-12-14-16-22(43)25-28-20(3)21(35(4,31(25)46)34(49)38(28,7)50)18-19-24(45)27-30-37(6)32(47)26(23(44)17-15-13-11-2)29-36(5,33(27)48)41(51)40(30,9)54-42(37,52)39(29,8)53-41/h10-21,28-30,43-45,50-52H,1-9H3/b12-10+,13-11+,16-14+,17-15+,19-18+,25-22?,26-23?,27-24?/t20-,21-,28-,29+,30+,35+,36+,37+,38-,39+,40-,41+,42-/m0/s1
Inchikey: RXMFKYAIUPCRJW-UJNFNLQFSA-N

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Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
757	Penicillium chrysogenum 581F1