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Chemical structure of Aspercolorin

GC42857

Aspercolorin

Also known as 14-benzyl-19-methoxy-2,8,12,15-tetrazatricyclo[15.4.0.04,8]henicosa-1(17),18,20-triene-3,9,13,16-tetrone

Aspercolorin is a fungal metabolite produced by Aspergillus

ChemicalCAS29123-52-2MW464.5FormulaC25H28N4O5
CAS number
29123-52-2
Molecular weight
464.5
Formula
C25H28N4O5
Solubility
Soluble in DMSO
InChIKey
KABHYYPZHZXPIU-UHFFFAOYSA-N
Catalogue number
GC42857
Brand
GLPBIO
Computed properties PubChem CID 101982325 · XLogP 1.4 · TPSA 117 Ų · H-bond donors 3
XLogP
1.4
TPSA
117 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
34

SMILES COC1=CC2=C(C=C1)NC(=O)C3CCCN3C(=O)CCNC(=O)C(NC2=O)CC4=CC=CC=C4

Computed descriptors from PubChem (CID 101982325), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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