Compound Summary
Icilin
Compound Information
Icilin
Compound Name: | Icilin |
Compound CID: | 161930 |
Synonyms: | Icilin 36945-98-9 AG 3-5 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one AG-3-5 More... |
Iupac Name: | 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one |
InChI: | InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21) |
InChIKey: | RCEFMOGVOYEGJN-UHFFFAOYSA-N |
Canonical Smiles: | C1C=C(NC(=O)N1C2=CC=CC=C2O)C3=CC(=CC=C3)[N+](=O)[O-] |
Isomeric Smiles: | C1C=C(NC(=O)N1C2=CC=CC=C2O)C3=CC(=CC=C3)[N+](=O)[O-] |
Molecular Weight: | 311.29 |
Molecular Formula: | C16H13N3O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Icilin
Molecular Weight: | 311.29 |
Molecular Formula: | C16H13N3O4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 23 |
Complexity: | 502 |
Synonyms
Icilin
| Icilin | Icilin |
|---|---|
Icilin |
36945-98-9 |
AG 3-5 |
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one |
AG-3-5 |
UNII-CS70PZQ4QJ |
2(1H)-Pyrimidinone, 3,6-dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)- |
ICILLIN |
3,6-Dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-2(1H)-pyrimidinone |
Icilin(AG 3-5) |
CS70PZQ4QJ |
CHEMBL258405 |
C16H13N3O4 |
MFCD01689072 |
3,4-Dihydro-3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-(1H)-pyrimidin-2-one |
SMR000299977 |
SR-01000075377 |
AG 3-5 cpd |
BRN 0700310 |
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydro-2(1H)-pyrimidinone |
Icilin- Bio-X |
Tocris-1531 |
Lopac-I-9532 |
1-(2-Hydroxyphenyl)-4-(3-nitrophenyl)-1,2,3,6-tetrahydropyrimidine-2-one |
Lopac0_000426 |
5-24-03-00255 (Beilstein Handbook Reference) |
MLS000693445 |
MLS002153471 |
SCHEMBL663503 |
GTPL2429 |
CHEBI:92845 |
DTXSID70190442 |
EX-A279 |
HMS2769B07 |
HMS3261E14 |
HMS3268C05 |
HMS3412H21 |
HMS3648E15 |
HMS3676H21 |
ZINC620751 |
AOB33703 |
BCP27818 |
Icilin, >=97% (HPLC), solid |
Tox21_500426 |
1796AH |
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one |
BDBM50241426 |
STK134504 |
1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-1,2,3,6-tetrahydropyrimidin-2-one |
AKOS000370368 |
CCG-204518 |
CCG-221730 |
CS-1922 |
LP00426 |
MCULE-3268186053 |
SDCCGSBI-0050411.P002 |
SMP2_000128 |
NCGC00015571-01 |
NCGC00015571-02 |
NCGC00015571-03 |
NCGC00015571-04 |
NCGC00015571-05 |
NCGC00015571-07 |
NCGC00015571-15 |
NCGC00025205-01 |
NCGC00025205-02 |
NCGC00025205-03 |
NCGC00261111-01 |
AS-35111 |
BI164563 |
DA-33568 |
HY-11062 |
AB0213797 |
B1055 |
EU-0100426 |
FT-0700300 |
I-145 |
AG 3-5; AG3-5; AG-3-5 |
C20171 |
I 9532 |
A903163 |
Q5986473 |
SR-01000075377-1 |
SR-01000075377-2 |
SR-01000075377-4 |
SR-01000075377-9 |
BRD-K48869804-001-04-7 |
1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-3,6-dihydropyrimidin-2-one |
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one. |
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,2,3,4-tetrahydropyrimidin-2-one |
AG-3-5; 1-(2-Hydroxyphenyl)-4-(3-nitrophenyl)-1,2,3,6-tetrahydropyrimidin-2-one |
KX7 |
Experimental Data
Icilin
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Brachionus manjavacas | 5.000000000000000 | umol/L | 0.000000000000000 | NS | 27484416 | Inactive | |||||||
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -5.000000000000000 | NS | N2 | 24134630 | Inactive | ||||||
| Brachionus manjavacas | 1.000000000000000 | umol/L | 0.000000000000000 | NS | 27484416 | Inactive | |||||||
| Brachionus manjavacas | 10.000000000000000 | umol/L | 0.000000000000000 | NS | 27484416 | Inactive |
Experimental Data Visualization
Icilin
Statistics Data
Icilin
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Brachionus manjavacas | 0.000000000000000 | 1 | 3 | |
| Caenorhabditis elegans | -5.000000000000000 | 1 | 1 |
Statistics Data Visualization
Icilin
