IBD Research Resource Center

BioID	bio382
Name	LAVENDUSTIN C
ChEMBL ID	CHEMBL319620
Molecular Formula	C14H13NO5
Molecular Weight	275.26
Molecular Weight (Monoisotopic)	275.0794
Type	Small molecule
Max Phase	--
Target ID	Tar11
Target Name	Proto-oncogene c-RAF (c-RAF)
Synonyms	Lavendustin C
Smiles	O=C(O)c1cc(NCc2cc(O)ccc2O)ccc1O
Inchi	InChI=1S/C14H13NO5/c16-10-2-4-12(17)8(5-10)7-15-9-1-3-13(18)11(6-9)14(19)20/h1-6,15-18H,7H2,(H,19,20)
Inchi Key	LULATDWLDJOKCX-UHFFFAOYSA-N
Molecular Species	ACID
Targets	135.0
Bioactivities	155.0
Np Likeness Score	-0.11
Records Key	['17', '4', '2', '8c', 'II12', '5', 'K115, Lavendustin C', 'K00050, Lavendustin C', '5', '2', '2', '3', 'SID26756741', 'SID511665', 'K00050']
Records Name	['5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic acid', '5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic acid', '5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic acid', '5-(2,5-dihydroxybenzylamino)-2-hydroxybenzoic acid', '5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic acid', '5-(2,5-dihydroxybenzylamino)-2-hydroxybenzoic acid', '5-(2,5-dihydroxybenzylamino)-2-hydroxybenzoic acid', 5-(N-2',5'-dihydroxybenzyl)aminosalicylic acid", '5-(2,5-dihydroxybenzylamino)-2-hydroxybenzoic acid', '5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic acid', '5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic acid', 'Lavendustin C', 'SID26756741', 'SID511665', 'K00050']"
Withdrawn Flag	False
Orphan	-1