Molecule

2-Amino-6,8-dihydroxypurine

AlkaPlorer ID: AK092497

Synonym: 2-Amino-7,9-dihydro-1H-purine-6,8-dione, 8-Oxoguanine, 7,8-Dihydro-8-oxoguanine, 2-Aminopurine-6,8-diol, 8-Hydroxyguanine

IUPAC Name: 2-amino-7,9-dihydro-1H-purine-6,8-dione

SMILES: N=C1N=C(O)C2=C(NC(O)=N2)N1

InChI: InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)

InChIKey: CLGFIVUFZRGQRP-UHFFFAOYSA-N

PubChem CID: 135420630

CAS: 5614-64-2

NPASS: NPC320256

COCONUT: CNP0379722

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota

Molecule Weight: 167.128

TPSA？: 121.67

MolLogP？: -0.8233300000000006

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Microtubule-associated protein tau	Potency	39810.7	nM	None
Homo sapiens	Olfactory receptor 51E2	EC50	0.00044	nM	None
Homo sapiens	Olfactory receptor 51E2	Ratio	0.57	None	None

AKRT ID	Reaction	Reaction Link ID
AKRT000809	OP(=O)(O)OC[C@H]1O[C@@H]()C[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)C[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H]()C[C@@H]1OP(=O)(O)O>>Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1	RXN-18435
AKRT016344	N=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1	enzymemap_79228
AKRT021107	Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1>>O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1	RXN-11455
AKRT024108	O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1	RXN-11455