D-(-)-Fructose

Details

Top
Internal ID 5b168ec9-4b08-4fc0-ad5e-b52ab9be0703
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides
IUPAC Name (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
SMILES (Canonical) C(C(C(C(C(=O)CO)O)O)O)O
SMILES (Isomeric) C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
InChI InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
InChI Key BJHIKXHVCXFQLS-UYFOZJQFSA-N
Popularity 61,221 references in papers

Physical and Chemical Properties

Top
Molecular Formula C6H12O6
Molecular Weight 180.16 g/mol
Exact Mass 180.06338810 g/mol
Topological Polar Surface Area (TPSA) 118.00 Ų
XlogP -3.20
Atomic LogP (AlogP) -3.38
H-Bond Acceptor 6
H-Bond Donor 5
Rotatable Bonds 5

Synonyms

Top
57-48-7
D(-)-Fructose
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
Nevulose
D-Levulose
DL-Fructose
30237-26-4
Furucton
Methose
D-(-)-Levulose
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of D-(-)-Fructose

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
Human Intestinal Absorption - 0.5802 58.02%
Caco-2 - 0.9705 97.05%
Blood Brain Barrier - 0.7500 75.00%
Human oral bioavailability - 0.7286 72.86%
Subcellular localzation Mitochondria 0.6713 67.13%
OATP2B1 inhibitior - 0.8550 85.50%
OATP1B1 inhibitior + 0.9652 96.52%
OATP1B3 inhibitior + 0.9398 93.98%
MATE1 inhibitior - 1.0000 100.00%
OCT2 inhibitior - 1.0000 100.00%
BSEP inhibitior - 0.9791 97.91%
P-glycoprotein inhibitior - 0.9808 98.08%
P-glycoprotein substrate - 0.9567 95.67%
CYP3A4 substrate - 0.6990 69.90%
CYP2C9 substrate - 1.0000 100.00%
CYP2D6 substrate - 0.7957 79.57%
CYP3A4 inhibition - 0.9195 91.95%
CYP2C9 inhibition - 0.9441 94.41%
CYP2C19 inhibition - 0.9346 93.46%
CYP2D6 inhibition - 0.9417 94.17%
CYP1A2 inhibition - 0.8273 82.73%
CYP2C8 inhibition - 0.9927 99.27%
CYP inhibitory promiscuity - 0.9652 96.52%
UGT catelyzed + 0.7000 70.00%
Carcinogenicity (binary) - 0.8500 85.00%
Carcinogenicity (trinary) Non-required 0.7453 74.53%
Eye corrosion - 0.9867 98.67%
Eye irritation - 0.8180 81.80%
Skin irritation - 0.7548 75.48%
Skin corrosion - 0.9537 95.37%
Ames mutagenesis - 0.8400 84.00%
Human Ether-a-go-go-Related Gene inhibition - 0.7493 74.93%
Micronuclear - 0.9100 91.00%
Hepatotoxicity - 0.9000 90.00%
skin sensitisation - 0.9233 92.33%
Respiratory toxicity - 0.6000 60.00%
Reproductive toxicity - 0.9222 92.22%
Mitochondrial toxicity + 0.7375 73.75%
Nephrotoxicity + 0.5498 54.98%
Acute Oral Toxicity (c) IV 0.5013 50.13%
Estrogen receptor binding - 0.9116 91.16%
Androgen receptor binding - 0.7772 77.72%
Thyroid receptor binding - 0.7413 74.13%
Glucocorticoid receptor binding - 0.5890 58.90%
Aromatase binding - 0.8780 87.80%
PPAR gamma - 0.8003 80.03%
Honey bee toxicity - 0.9351 93.51%
Biodegradation + 0.8250 82.50%
Crustacea aquatic toxicity - 0.9000 90.00%
Fish aquatic toxicity - 0.9629 96.29%

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.31% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 85.29% 97.29%
CHEMBL2581 P07339 Cathepsin D 83.77% 98.95%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.75% 96.95%
CHEMBL2094135 Q96BI3 Gamma-secretase 82.46% 98.05%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 81.66% 98.75%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Actinidia arguta
Afrocarpus gracilior
Agave xylonacantha
Allium cepa
Allium suworowi
Aloe vera
Alstroemeria revoluta
Anethum graveolens
Annona squamosa
Anthemis cretica
Antiphiona pinnatisecta
Arabidopsis thaliana
Arbutus unedo
Aristolochia arcuata
Aristolochia baetica
Asarum heterotropoides
Astragalus hamosus
Cajanus cajan
Calophyllum inophyllum
Cannabis sativa
Carum carvi
Centaurea aspera
Colchicum schimperi
Coriandrum sativum
Crotalaria novae-hollandiae
Cucurbita foetidissima
Foeniculum vulgare
Fragaria × ananassa
Gastrodia elata
Gentianopsis ciliata
Glycine max
Glycyrrhiza glabra
Hedychium yunnanense
Helianthus annuus
Hypericum perforatum
Hyptis brevipes
Jacaranda acutifolia
Levisticum officinale
Ligularia intermedia
Lycopodium japonicum
Maackia tashiroi
Maclura pomifera
Marsdenia tomentosa
Medicago sativa
Momordica cochinchinensis
Monoon cupulare
Nicotiana tabacum
Olea europaea
Olearia paniculata
Panax ginseng
Panax quinquefolius
Passiflora oerstedii
Phaseolus coccineus
Phyllostachys edulis
Physcomitrella patens
Piper retrofractum
Planchonella vitiensis
Plinia cauliflora
Polygonatum sewerzowi
Prunus avium
Prunus domestica
Prunus laurocerasus
Psidium guajava
Pteris khasiana subsp. fauriei
Pycnandra acuminata
Rosa nisami
Rosulabryum capillare
Saccharum officinarum
Salacia reticulata
Salsola collina
Schleichera oleosa
Symplocos tinctoria
Tamarix aphylla
Taraxacum coreanum
Taraxacum mongolicum
Taraxacum officinale
Taraxacum platycarpum
Taraxacum sinicum
Tecoma stans
Tetrapleura tetraptera
Thelypteris esquirolii
Theobroma cacao
Tillandsia usneoides
Torilis japonica
Tragopogon pratensis
Tulipa turkestanica
Turnera diffusa
Vitis vinifera
Xylocarpus granatum

Cross-Links

Top
PubChem 5984
NPASS NPC113101
LOTUS LTS0241114
wikiData Q122043