Striatoid B

Details

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Internal ID 80b3f308-e3b0-44ee-8aa3-558ea8fc8d31
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name (1R,5R,9S,10R,13R,14S,16S,19S,21S,23R,24S)-10,13-dimethyl-7-propan-2-yl-15,17,20,22-tetraoxaheptacyclo[12.10.0.02,21.05,13.06,10.016,24.019,23]tetracosa-2,6-diene-9,19,23,24-tetrol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H34O8/c1-11(2)13-9-15(26)22(4)8-7-21(3)14(16(13)22)6-5-12-17-18(21)31-20-24(17,28)25(29)23(27,10-30-20)32-19(12)33-25/h5,11,14-15,17-20,26-29H,6-10H2,1-4H3/t14-,15+,17-,18+,19+,20+,21-,22+,23+,24+,25+/m1/s1
InChI Key RNKARJGGAIFQEJ-SNGZXUQOSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C25H34O8
Molecular Weight 462.50 g/mol
Exact Mass 462.22536804 g/mol
Topological Polar Surface Area (TPSA) 118.00 Ų
XlogP -0.50

Synonyms

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(1R,5R,9S,10R,13R,14S,16S,19S,21S,23R,24S)-10,13-dimethyl-7-propan-2-yl-15,17,20,22-tetraoxaheptacyclo[12.10.0.02,21.05,13.06,10.016,24.019,23]tetracosa-2,6-diene-9,19,23,24-tetrol
(1R,5R,9S,10R,13R,14S,16S,19S,21S,23R,24S)-10,13-dimethyl-7-propan-2-yl-15,17,20,22-tetraoxaheptacyclo(12.10.0.02,21.05,13.06,10.016,24.019,23)tetracosa-2,6-diene-9,19,23,24-tetrol
RefChem:186014
CHEMBL3577354
CHEBI:211637

2D Structure

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2D Structure of Striatoid B

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.75% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.21% 91.11%
CHEMBL2581 P07339 Cathepsin D 93.77% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 92.31% 90.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.06% 94.45%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.73% 97.25%
CHEMBL226 P30542 Adenosine A1 receptor 88.42% 95.93%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.34% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.80% 100.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 84.94% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.22% 95.89%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.05% 93.56%
CHEMBL3401 O75469 Pregnane X receptor 81.22% 94.73%
CHEMBL1937 Q92769 Histone deacetylase 2 81.07% 94.75%

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 122177651
LOTUS LTS0216136
wikiData Q105241460