Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	103-95-7
Molecular formula	C13H18O
IUPAC name	2-methyl-3-(4-propan-2-ylphenyl)propanal
Molecular weight	190.286
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.3
Synonyms	p-Isopropyl-alpha-methylhydrocinnamaldehyde .beta.-Methyl-p-iso-propyl phenyl propionaldehyde 2-Methyl-3-(p-isopropylphenyl)propionaldehyde, >=95%, FCC, FG 3-(p-Isopropylphenyl)-2-methylpropionaldehyde AC1Q1QYY AN-24664 CHEMBL3183483 DSSTox_GSID_44769 Hydrocinnamaldehyde, p-isopropyl-.alpha.-methyl- MCULE-7380299348 SCHEMBL1148 2-methyl-3-(4-isopropylphenyl)-propionaldehyde 3-(4-isopropylphenyl)-2-methyl-propanal 4-07-00-00788 (Beilstein Handbook Reference) AKOS009157690 Benzenepropanal, .alpha.-methyl-4-(1-methylethyl)- Cyclamen aldehyde EC 203-161-7 I0377 NCGC00254985-01 .alpha.-Methyl-p-isopropylhydrocinnamaldehyde xi-3-(4-Isopropylphenyl)-2-methylpropanal 2-methyl-3-(p-isopropylphenyl) propionaldehyde 3-(4-Isopropylphenyl)-2-methylpropionaldehyde 80949-77-5 alpha-Methyl-p-isopropylhydrocinnamaldehyde CAS-103-95-7 DB-021664 FT-0613680 KS-00000WER p-Isopropyl-.alpha.-methylphenylpropyl aldehyde p-Isopropyl-alpha-methylhydrocinnamic aldehyde 2-Methyl-3-[4-(Propan-2-Yl)Phenyl]Propanal 3-(p-Isopropylphenyl)isobutyraldehyde ACMC-1CA7J ANW-14996 CTK3J8112 DSSTox_RID_80460 HYDROCINNAMALDEHYDE, p-ISOPROPYL-alpha-METHYL- MolPort-001-787-536 Tox21_301084 2-methyl-3-(4-isopropylphenyl)propionaldehyde 3-(4-Isopropylphenyl)-2-methylpropanal 4-Isopropyl-alpha-methylhydrocinnamaldehyde Aldehyde B Benzenepropanal, alpha-methyl-4-(1-methylethyl)- Cyclaviol EINECS 203-161-7 Isopropylmethylhydrocinnamaldehyde p-Isopropyl-.alpha.-methylhydrocinnamaldehyde p-Isopropyl-alpha-methyl-hydrocinnamaldehyde .alpha.-Methyl-p-isopropylhydrocinnamic aldehyde ZFNVDHOSLNRHNN-UHFFFAOYSA-N 2-Methyl-3-(p-isopropylphenyl)propionaldehyde 3-(4-Isopropylphenyl)isobutyraldehyde AC1LAPG8 alpha-Methyl-p-isopropylphenylpropylaldehyde DSSTox_CID_24769 Hydrocinnamaldehyde, isopropylmethyl- LS-2936 RT-004241 2-methyl-3-(4-isopropylphenyl)-propanal 3-(4-isopropyl-phenyl)-2-methyl-propionaldehyde 3-p-Cumenyl-2-methylpropionaldehyde AI3-03941 BBV-39138089 Cyclamal DTXSID2044769 I01-10135 NCGC00248282-01 W-109384 2-methyl-3-(4-propan-2-ylphenyl)propanal 3-(4-Isopropylphenyl)-2-methylpropanal # 4-Isopropyl-alpha-methylhydrocinnamic aldehyde alpha-Methyl-4-(1-methylethyl)benzenepropanal BRN 2047689 Cymal FEMA No. 2743 KB-27122 p-Isopropyl-.alpha.-methylhydrocinnamic aldehyde [ Show all ]
Inchi Key	ZFNVDHOSLNRHNN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
PubChem CID	517827
ChEMBL	CHEMBL3183483
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
533567	Olfactory receptor 5K1	Q8NHB7	OR5K1	Homo sapiens (Human)	308

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218