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Chemical structure of Deoxyviolacein

GC40654

Deoxyviolacein

Also known as 3-[2-hydroxy-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one

Deoxyviolacein is a bacterial metabolite and byproduct in the biosynthesis of the bisindole alkaloid violacein that has anticancer, antibacterial, and antifungal properties

ChemicalCAS5839-61-2MW327.3FormulaC20H13N3O2
CAS number
5839-61-2
Molecular weight
327.3
Formula
C20H13N3O2
Solubility
DMF： soluble,DMSO： soluble,Ethanol： soluble,Methanol： soluble
InChIKey
JHKIFAKMDLEWJK-UHFFFAOYSA-N
Catalogue number
GC40654
Brand
GLPBIO
Computed properties PubChem CID 135494300 · XLogP 3.1 · TPSA 81.2 Ų · H-bond donors 3
XLogP
3.1
TPSA
81.2 Ų
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
25

SMILES C1=CC=C2C(=C1)C(=CN2)C3=CC(=C(N3)O)C4=C5C=CC=CC5=NC4=O

Computed descriptors from PubChem (CID 135494300), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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