7,10S-epoxycycloneran-3,15-diol

Details

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Internal ID 6e7fdbf6-c08b-4492-8fac-8b848138227e
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides
IUPAC Name (1R,2S,3R)-3-[(2R,5S)-5-(1-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H28O3/c1-10(9-16)13-6-8-15(4,18-13)12-5-7-14(3,17)11(12)2/h10-13,16-17H,5-9H2,1-4H3/t10?,11-,12+,13-,14+,15+/m0/s1
InChI Key IDIUHYKDNPPJQT-JKMBVOABSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H28O3
Molecular Weight 256.38 g/mol
Exact Mass 256.20384475 g/mol
Topological Polar Surface Area (TPSA) 49.70 Ų
XlogP 2.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7,10S-epoxycycloneran-3,15-diol

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 96.18% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.21% 96.09%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 94.05% 89.05%
CHEMBL218 P21554 Cannabinoid CB1 receptor 90.07% 96.61%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.46% 97.09%
CHEMBL233 P35372 Mu opioid receptor 87.01% 97.93%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.96% 100.00%
CHEMBL206 P03372 Estrogen receptor alpha 85.19% 97.64%
CHEMBL237 P41145 Kappa opioid receptor 84.53% 98.10%
CHEMBL2996 Q05655 Protein kinase C delta 84.48% 97.79%
CHEMBL226 P30542 Adenosine A1 receptor 83.31% 95.93%
CHEMBL2095194 P08709 Coagulation factor VII/tissue factor 82.70% 99.17%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 82.59% 95.50%
CHEMBL2094135 Q96BI3 Gamma-secretase 82.27% 98.05%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.04% 97.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.86% 95.89%
CHEMBL221 P23219 Cyclooxygenase-1 80.21% 90.17%
CHEMBL5888 Q99558 Mitogen-activated protein kinase kinase kinase 14 80.14% 100.00%

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 146682957
LOTUS LTS0064656
wikiData Q105111382