Cladosporilactam A

Details

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Internal ID 9e3dcbda-5183-45e5-a68e-41dfa6833954
Taxonomy Organoheterocyclic compounds > Pyrrolidines
IUPAC Name (10aS)-4-methyl-2,3,8,9,10,10a-hexahydropyrrolo[2,1-b][1,3]oxazocin-6-one
SMILES (Canonical) CC1=CC(=O)N2CCCC2OCC1
SMILES (Isomeric) CC1=CC(=O)N2CCC[C@@H]2OCC1
InChI InChI=1S/C10H15NO2/c1-8-4-6-13-10-3-2-5-11(10)9(12)7-8/h7,10H,2-6H2,1H3/t10-/m0/s1
InChI Key NLLHDNJQCBLYET-JTQLQIEISA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C10H15NO2
Molecular Weight 181.23 g/mol
Exact Mass 181.110278721 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 0.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Cladosporilactam A

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
CHEMBL2581 P07339 Cathepsin D 96.77% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.64% 95.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.53% 97.25%
CHEMBL5608 Q16288 NT-3 growth factor receptor 90.50% 95.89%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 90.24% 93.40%
CHEMBL1978 P11511 Cytochrome P450 19A1 89.45% 91.76%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 86.82% 90.24%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 85.57% 94.78%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.38% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.21% 96.09%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.14% 90.71%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.60% 93.99%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.58% 97.09%
CHEMBL1871 P10275 Androgen Receptor 84.22% 96.43%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.65% 92.94%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 82.62% 93.03%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.47% 86.33%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 80.09% 93.04%

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 139587336
LOTUS LTS0128905
wikiData Q77563593