Cianidanol

Representations & DB's id
ChEBI:	CHEBI:15600
ChEMBL:	CHEMBL311498
PubChem:	9064
IUPAC:	(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Standard InChI:	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Standard InChI Key:	PFTAWBLQPZVEMU-DZGCQCFKSA-N
SMILES:	Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O

Molecular propeties
AlogP:	1.55
Hydrogen bonds acceptors:	6
Hydrogen bonds donors:	5
Rotatable bonds:	1
Number of rings:	3
Molecular Weight:	290.08
Topological polar surface area:	110
Number of aromatic rings:	2
Fsp3:	0.2
Number of carbons:	15

Plant sources

Activity Type	Activity Value	Target Name	UniProt ID
Potency	28183.8 nM	ATP-dependent DNA helicase Q1	P46063
Potency	14125.4 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	25118.9 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	35481.3 nM	Survival motor neuron protein	Q16637
Potency	15848.9 nM	Microtubule-associated protein tau	P10636
Potency	28183.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	84921.4 nM	Peripheral myelin protein 22	Q01453
Potency	19952.6 nM	Microtubule-associated protein tau	P10636
Potency	15848.9 nM	DNA-(apurinic or apyrimidinic site) lyase	P27695
Potency	28183.8 nM	Bloom syndrome protein	P54132
Potency	39810.7 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	31622.8 nM	Neuropeptide S receptor	Q6W5P4
Potency	28183.8 nM	Bloom syndrome protein	P54132
Potency	12589.3 nM	DNA polymerase beta	P06746
Potency	28183.8 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	37685.8 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	4744.4 nM	Flap endonuclease 1	P39748
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1A4	P22310
Kd	49200 nM	Thrombin	P00734
IC50	125000 nM	Thrombin	P00734
IC50	300000 nM	Death-associated protein kinase 1	P53355