10 Hydroxyipomeabisfuran

Details

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Internal ID 33e28265-bfd2-4f32-941d-6b76af5203c4
Taxonomy Organoheterocyclic compounds > Heteroaromatic compounds
IUPAC Name [5-[[(2S,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]methyl]furan-3-yl]methanol
SMILES (Canonical) CC1(CCC(O1)C2=COC=C2)CC3=CC(=CO3)CO
SMILES (Isomeric) C[C@]1(CC[C@@H](O1)C2=COC=C2)CC3=CC(=CO3)CO
InChI InChI=1S/C15H18O4/c1-15(7-13-6-11(8-16)9-18-13)4-2-14(19-15)12-3-5-17-10-12/h3,5-6,9-10,14,16H,2,4,7-8H2,1H3/t14-,15+/m1/s1
InChI Key MKVPSLGZDZXYME-CABCVRRESA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H18O4
Molecular Weight 262.30 g/mol
Exact Mass 262.12050905 g/mol
Topological Polar Surface Area (TPSA) 55.70 Ų
XlogP 1.60

Synonyms

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10-Hydroxyipomeabisfuran
10-Hydroxy-ipomeabisfuran
97RK8WNM26
UNII-97RK8WNM26
(5-(((2S,5R)-5-(3-Furyl)-2-methyl-tetrahydrofuran-2-yl)methyl)-3-furyl)methanol
3-Furanmethanol, 5-((2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)methyl)-, (2R-cis)-
92448-67-4

2D Structure

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2D Structure of 10 Hydroxyipomeabisfuran

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.70% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.94% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.56% 97.09%
CHEMBL226 P30542 Adenosine A1 receptor 91.98% 95.93%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.29% 94.45%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.56% 92.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.27% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.30% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.66% 94.00%
CHEMBL2581 P07339 Cathepsin D 80.62% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.14% 97.25%

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 162623641
LOTUS LTS0219459
wikiData Q105166249