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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	Madecassic acid
Molecular formula	C30H48O6
IUPAC name	(1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Molecular weight	504.708
Hydrogen bond acceptor	6
Hydrogen bond donor	5
XlogP	4.4
Synonyms	madecassica acid; SR-05000002181-3 AKOS015896782 NSC 88135 ZINC14243546 (2alpha,3beta,6beta)-2,3,6,23-tetrahydroxyurs-12-en-28-oic acid Brahmic acid M7O1N24J82 SR-05000002181 AC-6055 CCG-208587 MolPort-028-744-491 UNII-M7O1N24J82 (1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid BDBM50244879 CHEMBL481854 NSC-88135 18449-41-7 Brahmic acid; madecaic acid madecassic acid; SR-05000002181-2 AC1L2JTD CHEBI:73058 N2355 Urs-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, (2alpha,3beta,4alpha,6beta)- (1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,12bR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid Brahmanic acid; EBD842861 SCHEMBL153239 Brahmsaeure madecaic acid; [ Show all ]
Inchi Key	PRAUVHZJPXOEIF-AOLYGAPISA-N
Inchi ID	InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1
PubChem CID	73412
ChEMBL	CHEMBL481854
IUPHAR	N/A
BindingDB	50244879
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
266718	Rhodopsin	P02699	RHO	Bos taurus (Bovine)	348

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