Pennigritrem

Formula: C37H44ClNO6
Molecular weight: 634.20
Smiles: CC1(C2CC3C2(C4=C5C(=CC(=C4CC3=C)Cl)NC6=C5C(O1)C7C6(C8(CCC9C1(C8(CC7)O)C(O1)C1C(O9)C(O1)(C)C)C)C)O)C
Type: Indole (Penitrems)

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Pennigritrem

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Pennigritrem
First synonym: Pennigritrem
Synonyms: Pennigritrem,139682-30-7,DTXSID70930547,11-Chloro-1,1,7,7,14a,14b-hexamethyl-9-methylidene-1,2a,2b,5,5a,5b,7,7a,8,8a,9,10,14a,14b,15,16,16a,17a-octadecahydro-3bH-13,14-epiminobenzo[fg]cyclobuta[kl]indeno[1,2-d][3]benzoxocine-3b,10c(4H)-diol

Smiles: CC1(C2CC3C2(C4=C5C(=CC(=C4CC3=C)Cl)NC6=C5C(O1)C7C6(C8(CCC9C1(C8(CC7)O)C(O1)C1C(O9)C(O1)(C)C)C)C)O)C
Isomeric smiles: CC1(C2CC3C2(C4=C5C(=CC(=C4CC3=C)Cl)NC6=C5C(O1)C7C6(C8(CCC9C1(C8(CC7)O)C(O1)C1C(O9)C(O1)(C)C)C)C)O)C
Inchi: InChI=1S/C37H44ClNO6/c1-15-12-16-19(38)14-20-23-24-26(43-31(2,3)21-13-18(15)36(21,41)25(16)23)17-8-11-35(40)33(6,34(17,7)28(24)39-20)10-9-22-37(35)30(45-37)27-29(42-22)32(4,5)44-27/h14,17-18,21-22,26-27,29-30,39-41H,1,8-13H2,2-7H3
Inchikey: HYLKKEXCEIKCIN-UHFFFAOYSA-N

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Category	Sub category	Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference

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Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
837	Penicillium janczewskii
867	Penicillium nigricans IMI 228669