Strossmayerin

Details

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Internal ID 26e90a61-5cc3-4e2f-ad44-40cc5ab19ce9
Taxonomy Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans
IUPAC Name 7-(hydroxymethyl)-5,7-dimethyl-3,4,6,8-tetrahydro-1H-cyclopenta[g]isochromen-9-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20O3/c1-9-10-3-4-18-7-13(10)14(17)12-6-15(2,8-16)5-11(9)12/h16-17H,3-8H2,1-2H3
InChI Key HYFUPDNSOFIKIF-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O3
Molecular Weight 248.32 g/mol
Exact Mass 248.14124450 g/mol
Topological Polar Surface Area (TPSA) 49.70 Ų
XlogP 1.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Strossmayerin

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 95.15% 91.11%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 90.28% 89.05%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.76% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.05% 94.45%
CHEMBL1951 P21397 Monoamine oxidase A 86.76% 91.49%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.26% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.83% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.62% 95.89%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 81.38% 85.11%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.22% 92.94%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 146684692
LOTUS LTS0135832
wikiData Q105035296