Logo Anses
Logo Interreg

Apicidin d1

  • Formula: C34H49N5O7

  • Molecular weight: 639.80

  • Smiles: CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)C(C)O

Download

Apicidin d1

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

Names

  • Mycotoxin name: Apicidin d1

  • First synonym: Apicidin d1

  • Synonyms: Apicidin D1,CHEMBL356176,SCHEMBL19605518,BDBM50135741,(6S,9S,12S,14aR)-6-sec-Butyl-12-(7-hydroxy-6-oxo-octyl)-9-(1-methoxy-1H-indol-3-ylmethyl)-decahydro-4a,7,10,13-tetraaza-benzocyclododecene-5,8,11,14-tetraone

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)C(C)O

  • Isomeric smiles: CCC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)C(C)O

  • Inchi: InChI=1S/C34H49N5O7/c1-5-21(2)30-34(45)38-18-12-11-16-28(38)33(44)35-25(14-7-6-8-17-29(41)22(3)40)31(42)36-26(32(43)37-30)19-23-20-39(46-4)27-15-10-9-13-24(23)27/h9-10,13,15,20-22,25-26,28,30,40H,5-8,11-12,14,16-19H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t21?,22?,25-,26-,28+,30-/m0/s1

  • Inchikey: BCSAECULXJTTAB-XLBNHOPESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H49N5O7

  • Molecular weight: 639.80

  • Monoisotopic mass: 639.36319892

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