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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	1205-17-0
Molecular formula	C11H12O3
IUPAC name	3-(1,3-benzodioxol-5-yl)-2-methylpropanal
Molecular weight	192.214
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.2
Synonyms	Hydrocinnamaldehyde, alpha-methyl-3,4-(methylenedioxy)- (8CI) NCGC00255941-01 Q-201188 1,3-Benzodioxole-5-propanal, .alpha.-methyl- Tropional 2-Methyl-3-(3,4-Methylenedioxyphenyl)Propanal 3-(3,4-methylenedioxyphenyl)-2-methylpropanal alpha-Methyl-1,3-benzodioxole-5-propanal BOPPSUHPZARXTH-UHFFFAOYSA-N DSSTox_CID_23908 Heliobouquet Heliogan KS-0000122F NSC-22282 SCHEMBL112940 2-methyl-3-(3,4-methylenedioxy-phenyl)propanal 3-(1,3-benzodioxol-5-yl)-2-methyl-propanal a-Methyl-3,4-(methylenedioxy)hydrocinnamaldehyde AN-22352 CC-11330 DTXSID7043908 hydrocinnamaldehyde, alpha-methyl-3,4- (methylenedioxy) MCULE-3424309643 ocean propanal .alpha.-Methyl-3,4-methylenedioxy-hydrocinnamic aldehyde STL300759 2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal 3-(2H-benzo[d]1,3-dioxolan-5-yl)-2-methylpropanal AK-32982 AS-15348 CTK8B8275 Floramelon Heliofresh Hydrocinnamaldehyde,4-(methylenedioxy)- New heliotropin RP25175 1,3-Benzodioxole-5-propanal, alpha-methyl- TX-017881 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde 3-(benzo[d][1,3]dioxol-5-yl)-2-methylpropanal alpha-Methyl-1,3-benzodioxole-5-propionaldehyde C-24514 DSSTox_GSID_43908 Helipropanal LS-185779 NSC22282 ST24028088 2-Methyl-3-(3,4-methylenedioxyphen 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal AC1L21YN ANW-59877 EINECS 214-881-6 Hydrocinnamaldehyde, alpha-methyl-3,4-(methylenedioxy)- MolPort-002-135-196 PubChem15361 1, .alpha.-methyl- Tox21_301642 2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal, >=98% 3-(3,4-Methylenedioxyphenyl)-2-methyl-propanol AKOS015914177 BCP18791 DB-041564 FT-0633484 heliofresh(r) I14-43720 NSC 22282 SC-47153 2-piperonyl propanal a-methyl-1,3-benzodioxole-5-propionaldehyde alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde CAS-1205-17-0 DSSTox_RID_80086 Hydrocinnamaldehyde, .alpha.-methyl-3,4-(methylenedioxy)- M2404 O978 ST50825331 2-methyl-3-(3,4-methylenedioxyphenyl) propionaldehyde 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal # AC1Q1QZ3 aquanal CHEMBL3183457 FCH1113160 [ Show all ]
Inchi Key	BOPPSUHPZARXTH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3
PubChem CID	64805
ChEMBL	CHEMBL3183457
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
522420	Olfactory receptor 5K1	Q8NHB7	OR5K1	Homo sapiens (Human)	308

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