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Stolonidiol

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 8bce67a3-3aed-4fd2-bbe0-666c21ce3bf2
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Dolabellane and neodolabellane diterpenoids
IUPAC Name 2-[(1R,3R,5S,7S,13S,16S)-5-(hydroxymethyl)-13-methyl-10-methylidene-2,6-dioxatetracyclo[11.3.0.01,3.05,7]hexadecan-16-yl]propan-2-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H32O4/c1-13-5-6-15-19(12-21,23-15)11-16-20(24-16)14(17(2,3)22)8-10-18(20,4)9-7-13/h14-16,21-22H,1,5-12H2,2-4H3/t14-,15-,16+,18+,19-,20-/m0/s1
InChI Key AIGZUIVVXKXMDB-WZLKLWACSA-N
Popularity 11 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32O4
Molecular Weight 336.50 g/mol
Exact Mass 336.23005950 g/mol
Topological Polar Surface Area (TPSA) 65.50 Ų
XlogP 1.90

Synonyms

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2-[(1R,3R,5S,7S,13S,16S)-5-(hydroxymethyl)-13-methyl-10-methylidene-2,6-dioxatetracyclo[11.3.0.01,3.05,7]hexadecan-16-yl]propan-2-ol
2-((1R,3R,5S,7S,13S,16S)-5-(hydroxymethyl)-13-methyl-10-methylidene-2,6-dioxatetracyclo(11.3.0.01,3.05,7)hexadecan-16-yl)propan-2-ol
RefChem:932258
(1R,3S,5S,7R,12S,13S,16S)-5-(hydroxymethyl)-16-(2-hydroxypropan-2-yl)-13-methyl-10-methylidene-2,6-dioxatetracyclo(11.3.0.01,3.05,7)hexadecan-12-ol
112661-59-3
CHEMBL523258

2D Structure

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2D Structure of Stolonidiol

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 97.37% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.53% 91.11%
CHEMBL5888 Q99558 Mitogen-activated protein kinase kinase kinase 14 87.37% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.32% 94.45%
CHEMBL1977 P11473 Vitamin D receptor 86.81% 99.43%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.79% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.79% 96.09%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 85.33% 95.50%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.94% 95.89%
CHEMBL259 P32245 Melanocortin receptor 4 84.51% 95.38%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.05% 100.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.36% 97.14%
CHEMBL226 P30542 Adenosine A1 receptor 82.03% 95.93%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.50% 85.14%
CHEMBL2581 P07339 Cathepsin D 81.37% 98.95%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.70% 92.62%
CHEMBL237 P41145 Kappa opioid receptor 80.64% 98.10%

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 10065612
LOTUS LTS0127082
wikiData Q104912775