2,6-Dideoxy-3-C-methyl-L-ribo-hexose

Details

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Internal ID f916a2cf-60e8-4b8d-a468-ba5ac3bf62ba
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aldehydes > Medium-chain aldehydes
IUPAC Name (3R,4S,5S)-3,4,5-trihydroxy-3-methylhexanal
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C7H14O4/c1-5(9)6(10)7(2,11)3-4-8/h4-6,9-11H,3H2,1-2H3/t5-,6-,7+/m0/s1
InChI Key JYAQWANEOPJVEY-LYFYHCNISA-N
Popularity 25 references in papers

Physical and Chemical Properties

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Molecular Formula C7H14O4
Molecular Weight 162.18 g/mol
Exact Mass 162.08920892 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP -1.60

Synonyms

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3-Epi-axenose
Mycarose, DL-
6032-92-4
Mycarose, (+/-)-
Mycarose DL- form [MI]
UNII-I71I3DG1W1
2,6-Dideoxy-3-C-methyl-lyxo-hexose
I71I3DG1W1
Ribo-hexose, 2,6-dideoxy-3-C-methyl-
2,6-Dideoxy-3-C-methyl-ribo-hexose
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,6-Dideoxy-3-C-methyl-L-ribo-hexose

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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
CHEMBL253 P34972 Cannabinoid CB2 receptor 95.90% 97.25%
CHEMBL2581 P07339 Cathepsin D 93.56% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.23% 96.09%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 89.57% 89.34%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.08% 85.14%
CHEMBL3401 O75469 Pregnane X receptor 87.12% 94.73%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 85.46% 100.00%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.63% 97.29%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.65% 95.56%
CHEMBL2179 P04062 Beta-glucocerebrosidase 80.26% 85.31%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 169005
LOTUS LTS0198606
wikiData Q27114061