Logo Anses
Logo Interreg

Unguisin B

  • Formula: C37H56N8O7

  • Molecular weight: 724.90

  • Smiles: CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCC(=O)N1)CC2=CNC3=CC=CC=C32)C)C(C)C)CC(C)C)C(C)C

Download

Unguisin B

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Unguisin B

  • First synonym: None

  • Synonyms: Unguisin B,226956-07-6,(3R,6R,9R,12S,15R,18R)-3-(1H-indol-3-ylmethyl)-6,18-dimethyl-12-(2-methylpropyl)-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone,cyclo(D-alanyl-D-tryptophyl-4-aminobutanoyl-D-alanyl-D-valyl-L-leucyl-D-valyl),CHEBI:227540,DA-68480,HY-125488,CS-0091924,(3R,6R,9R,12S,15R,18R)-3-(1H-indol-3-ylmethyl)-6,18-dimethyl-9,12,15-tri(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone

Identifiers / External links

Structure

  • Smiles: CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCC(=O)N1)CC2=CNC3=CC=CC=C32)C)C(C)C)CC(C)C)C(C)C

  • Isomeric smiles: C[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCCCC(=O)N1)CC2=CNC3=CC=CC=C32)C)C(C)C)CC(C)C)C(C)C

  • Inchi: InChI=1S/C37H56N8O7/c1-19(2)16-27-35(50)45-30(20(3)4)36(51)41-23(8)32(47)42-28(17-24-18-39-26-13-10-9-12-25(24)26)34(49)38-15-11-14-29(46)40-22(7)33(48)44-31(21(5)6)37(52)43-27/h9-10,12-13,18-23,27-28,30-31,39H,11,14-17H2,1-8H3,(H,38,49)(H,40,46)(H,41,51)(H,42,47)(H,43,52)(H,44,48)(H,45,50)/t22-,23-,27+,28-,30-,31-/m1/s1

  • Inchikey: STCFDPSTGTYYBQ-MDODTGCMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C37H56N8O7

  • Molecular weight: 724.90

  • Monoisotopic mass: 724.42719616

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi