4,6,7-Trihydroxy-2-methoxy-3-methylidene-10-prop-1-enyl-2-azaspiro[4.5]dec-8-en-1-one

Details

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Internal ID 770297e3-a16e-40d3-80f4-df78e78d1dd8
Taxonomy Organoheterocyclic compounds > Pyrrolidines > Pyrrolidones > Pyrrolidine-2-ones
IUPAC Name 4,6,7-trihydroxy-2-methoxy-3-methylidene-10-prop-1-enyl-2-azaspiro[4.5]dec-8-en-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H19NO5/c1-4-5-9-6-7-10(16)12(18)14(9)11(17)8(2)15(20-3)13(14)19/h4-7,9-12,16-18H,2H2,1,3H3
InChI Key ZZNHVMBZKXSCKD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H19NO5
Molecular Weight 281.30 g/mol
Exact Mass 281.12632271 g/mol
Topological Polar Surface Area (TPSA) 90.20 Ų
XlogP -0.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4,6,7-Trihydroxy-2-methoxy-3-methylidene-10-prop-1-enyl-2-azaspiro[4.5]dec-8-en-1-one

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
CHEMBL4040 P28482 MAP kinase ERK2 98.91% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.06% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.55% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.61% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.40% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.90% 89.00%
CHEMBL4208 P20618 Proteasome component C5 83.79% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.06% 86.33%

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 72733395
LOTUS LTS0096780
wikiData Q105386928