N(1),N(7)-bis(2,3-dihydroxybenzoyl)norspermidine

Details

• Internal ID: ff2ac25e-af1c-49de-86e8-646a9c35500e
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives > Salicylamides
• IUPAC Name: N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propylamino]propyl]-2,3-dihydroxybenzamide
• InChI: InChI=1S/C20H25N3O6/c24-15-7-1-5-13(17(15)26)19(28)22-11-3-9-21-10-4-12-23-20(29)14-6-2-8-16(25)18(14)27/h1-2,5-8,21,24-27H,3-4,9-12H2,(H,22,28)(H,23,29)
• InChI Key: UJPUMUXZPLNLKI-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₅N₃O₆
• Molecular Weight: 403.40 g/mol
• Exact Mass: 403.17433553 g/mol
• Topological Polar Surface Area (TPSA): 151.00 Ų
• XlogP: 2.10

Synonyms

• N(1),N(7)-Bis(2,3-dihydroxybenzoyl)norspermidine
• 88381-35-5
• Benzamide, N,N'-(iminodi-3,1-propanediyl)bis(2,3-dihydroxy-
• DTXSID40237010
• N1,N7-bis-(2,3-dihydroxybenzoyl)norpermidine

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.55%	91.11%
CHEMBL2581	P07339	Cathepsin D	96.13%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.75%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.23%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	88.64%	94.73%
CHEMBL3492	P49721	Proteasome Macropain subunit	83.16%	90.24%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	82.16%	91.24%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.07%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 56842596
• LOTUS: LTS0080513
• wikiData: Q77495415