Ribonic acid

Details

• Internal ID: d7dc4de2-b15c-4b6f-9076-42ea2c1a4367
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Sugar acids and derivatives
• IUPAC Name: (2R,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid
• SMILES (Canonical): C(C(C(C(C(=O)O)O)O)O)O
• SMILES (Isomeric): C([C@H]([C@H]([C@H](C(=O)O)O)O)O)O
• InChI: InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4-/m1/s1
• InChI Key: QXKAIJAYHKCRRA-BXXZVTAOSA-N
• Popularity: 127 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₀O₆
• Molecular Weight: 166.13 g/mol
• Exact Mass: 166.04773803 g/mol
• Topological Polar Surface Area (TPSA): 118.00 Ų
• XlogP: -2.70
• Atomic LogP (AlogP): -2.85
• H-Bond Acceptor: 5
• H-Bond Donor: 5
• Rotatable Bonds: 4

Synonyms

• Ribonic acid
• (2R,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid
• 642-98-8
• 17812-24-7
• Ribonate
• D-(-)-Ribonic acid
• D-( )-Ribonic acid
• starbld0007008
• SCHEMBL416686
• CHEBI:21077
• QXKAIJAYHKCRRA-BXXZVTAOSA-N
• DTXSID801021863
• AKOS006290789
• C01685
• Q27109369
• 99235101-DD2D-4AB2-9123-10463F65AA6F

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	-	0.5812	58.12%
Caco-2	-	0.9798	97.98%
Blood Brain Barrier	-	0.6000	60.00%
Human oral bioavailability	-	0.6429	64.29%
Subcellular localzation	Mitochondria	0.7130	71.30%
OATP2B1 inhibitior	-	0.8564	85.64%
OATP1B1 inhibitior	+	0.9640	96.40%
OATP1B3 inhibitior	+	0.9094	90.94%
MATE1 inhibitior	-	1.0000	100.00%
OCT2 inhibitior	-	1.0000	100.00%
BSEP inhibitior	-	0.9844	98.44%
P-glycoprotein inhibitior	-	0.9832	98.32%
P-glycoprotein substrate	-	0.9863	98.63%
CYP3A4 substrate	-	0.7399	73.99%
CYP2C9 substrate	-	0.6069	60.69%
CYP2D6 substrate	-	0.8641	86.41%
CYP3A4 inhibition	-	0.9376	93.76%
CYP2C9 inhibition	-	0.9521	95.21%
CYP2C19 inhibition	-	0.9597	95.97%
CYP2D6 inhibition	-	0.9485	94.85%
CYP1A2 inhibition	-	0.9045	90.45%
CYP2C8 inhibition	-	0.9935	99.35%
CYP inhibitory promiscuity	-	0.9802	98.02%
UGT catelyzed	+	0.6000	60.00%
Carcinogenicity (binary)	-	0.8800	88.00%
Carcinogenicity (trinary)	Non-required	0.7983	79.83%
Eye corrosion	-	0.9886	98.86%
Eye irritation	-	0.7570	75.70%
Skin irritation	-	0.6691	66.91%
Skin corrosion	-	0.9159	91.59%
Ames mutagenesis	-	0.9900	99.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.7681	76.81%
Micronuclear	-	0.8300	83.00%
Hepatotoxicity	-	0.8750	87.50%
skin sensitisation	-	0.9449	94.49%
Respiratory toxicity	-	0.8444	84.44%
Reproductive toxicity	-	0.9111	91.11%
Mitochondrial toxicity	-	0.8750	87.50%
Nephrotoxicity	-	0.5940	59.40%
Acute Oral Toxicity (c)	IV	0.6216	62.16%
Estrogen receptor binding	-	0.8875	88.75%
Androgen receptor binding	-	0.8266	82.66%
Thyroid receptor binding	-	0.7481	74.81%
Glucocorticoid receptor binding	-	0.7483	74.83%
Aromatase binding	-	0.8840	88.40%
PPAR gamma	-	0.7921	79.21%
Honey bee toxicity	-	0.9741	97.41%
Biodegradation	+	0.8000	80.00%
Crustacea aquatic toxicity	-	0.9600	96.00%
Fish aquatic toxicity	-	0.9218	92.18%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	94.38%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.37%	96.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	81.85%	86.92%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.36%	99.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	81.10%	97.29%

Plants that contains it

• Aloe africana
• Aloe ferox
• Aloe spicata
• Aloe vera

Cross-Links

• PubChem: 5460677
• NPASS: NPC215862
• LOTUS: LTS0247603
• wikiData: Q27109369