PlantaeDB Logo
Login Sign-up

Spinoxazine A

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

Top
Internal ID 5b2cbc95-7bb2-4621-b131-8f0beea1822c
Taxonomy Organoheterocyclic compounds > Imidolactams
IUPAC Name 4-[(2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidin-1-yl]-2-(2-methylprop-1-enyl)-1,3-oxazin-6-one
SMILES (Canonical) CC1C(CC(=O)N1C2=CC(=O)OC(=N2)C=C(C)C)O
SMILES (Isomeric) C[C@H]1[C@H](CC(=O)N1C2=CC(=O)OC(=N2)C=C(C)C)O
InChI InChI=1S/C13H16N2O4/c1-7(2)4-11-14-10(6-13(18)19-11)15-8(3)9(16)5-12(15)17/h4,6,8-9,16H,5H2,1-3H3/t8-,9-/m0/s1
InChI Key AORKIGOJVHWLII-IUCAKERBSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C13H16N2O4
Molecular Weight 264.28 g/mol
Exact Mass 264.11100700 g/mol
Topological Polar Surface Area (TPSA) 79.20 Ų
XlogP 0.40

Synonyms

Top
4-((2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidin-1-yl)-2-(2-methylprop-1-enyl)-1,3-oxazin-6-one
4-[(2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidin-1-yl]-2-(2-methylprop-1-enyl)-1,3-oxazin-6-one
RefChem:932041
CHEMBL3818145
SCHEMBL29799008
CHEBI:227351

2D Structure

Top
2D Structure of Spinoxazine A

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.14% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.03% 86.33%
CHEMBL2581 P07339 Cathepsin D 93.51% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.19% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.43% 96.09%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 91.28% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.90% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.35% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 87.12% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.18% 89.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.87% 93.65%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 81.36% 100.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 80.88% 93.40%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.52% 94.00%

Plants that contains it

Top
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

Top
PubChem 122217669
LOTUS LTS0053375
wikiData Q104915915