Terpendole i

Formula: C27H35NO5
Molecular weight: 453.60
Smiles: CC12CCC3C4(C1(CCC5C2(C6=C(C5)C7=CC=CC=C7N6)C)O)C(O4)C(C(O3)C(C)(C)O)O

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Terpendole i

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Terpendole i
First synonym: Terpendole i
Synonyms: Terpendole I,167612-17-1,(1S,2R,5S,7S,8R,9R,11S,12S,15S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraene-8,12-diol,(2S,3R,3aR,4aS,4bS,6aS,12bS,12cR,14aS)-3,3a,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-2H,4bH-oxireno[4',4'a]-1-benzopyrano[5',6':6,7]indeno[1,2-b]indole-3,4b-diol,SCHEMBL20869892,CHEBI:144412,C20543

Smiles: CC12CCC3C4(C1(CCC5C2(C6=C(C5)C7=CC=CC=C7N6)C)O)C(O4)C(C(O3)C(C)(C)O)O
Isomeric smiles: C[C@]12CC[C@H]3[C@@]4([C@@]1(CC[C@@H]5[C@@]2(C6=C(C5)C7=CC=CC=C7N6)C)O)[C@H](O4)[C@@H]([C@H](O3)C(C)(C)O)O
Inchi: InChI=1S/C27H35NO5/c1-23(2,30)21-19(29)22-27(33-22)18(32-21)10-11-24(3)25(4)14(9-12-26(24,27)31)13-16-15-7-5-6-8-17(15)28-20(16)25/h5-8,14,18-19,21-22,28-31H,9-13H2,1-4H3/t14-,18-,19+,21-,22+,24+,25+,26-,27-/m0/s1
Inchikey: AKOANWZRKXOJTC-ZWNZASDISA-N

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Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
494	Epichloe festucae Fl1