Cytochalasin q

Formula: C30H37NO6
Molecular weight: 507.60
Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(C=CC(C1=O)(C)O)OC(=O)C)C(=O)NC4CC5=CC=CC=C5)C)C
Type: Cytochalasan

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Cytochalasin q

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Cytochalasin q
First synonym: Mls005941363
Synonyms: MLS005941363,CHEMBL299905,SMR004614077,(13E,19E)-10-Phenyl-16alpha,18beta-dimethyl-18-hydroxy-21beta-acetoxy-6,7beta-epoxy[11]cytochalasa-13,19-diene-1,17-dione,(7S,12S,15S,17S,1R,2R,5R,11R,14R)-18-Aza-5-hydroxy-5,7,14,15-tetramethyl-13-oxa-6,19-dioxo-17-benzyltetracyclo[9.8.0.0<1,16>.0<12,14>]nonadeca-3,9-dien-2-yl acetate

Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(C=CC(C1=O)(C)O)OC(=O)C)C(=O)NC4CC5=CC=CC=C5)C)C
Isomeric smiles: C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2([C@@H](/C=C/[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]4CC5=CC=CC=C5)C)C
Inchi: InChI=1S/C30H37NO6/c1-17-10-9-13-21-26-29(5,37-26)18(2)24-22(16-20-11-7-6-8-12-20)31-27(34)30(21,24)23(36-19(3)32)14-15-28(4,35)25(17)33/h6-9,11-15,17-18,21-24,26,35H,10,16H2,1-5H3,(H,31,34)/b13-9+,15-14+/t17-,18-,21-,22-,23+,24-,26-,28+,29+,30+/m0/s1
Inchikey: XHEQULXTQLICFN-QDNKZWAGSA-N

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Fungi id	Species
1049	Phomopsis sp.
1183	Xylaria hypoxylon