Rdojzoukvjesiv-vslccporsa-

Details

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Internal ID a4d9cbfd-2d45-492b-8d8c-ca491dac3848
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indolines
IUPAC Name (1'S,2S,4'R,7'R,8'S)-2',2',7'-trimethylspiro[1H-indole-2,6'-3-azatricyclo[5.2.2.04,8]undecane]-3-one
SMILES (Canonical) CC1(C2CCC3(C(C2)C(N1)CC34C(=O)C5=CC=CC=C5N4)C)C
SMILES (Isomeric) C[C@@]12CC[C@H]3C[C@@H]1[C@@H](C[C@@]24C(=O)C5=CC=CC=C5N4)NC3(C)C
InChI InChI=1S/C20H26N2O/c1-18(2)12-8-9-19(3)14(10-12)16(21-18)11-20(19)17(23)13-6-4-5-7-15(13)22-20/h4-7,12,14,16,21-22H,8-11H2,1-3H3/t12-,14+,16+,19+,20+/m0/s1
InChI Key RDOJZOUKVJESIV-VSLCCPORSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H26N2O
Molecular Weight 310.40 g/mol
Exact Mass 310.204513457 g/mol
Topological Polar Surface Area (TPSA) 41.10 Ų
XlogP 3.50

Synonyms

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InChI=1/C20H26N2O/c1-18(2)12-8-9-19(3)14(10-12)16(21-18)11-20(19)17(23)13-6-4-5-7-15(13)22-20/h4-7,12,14,16,21-22H,8-11H2,1-3H3/t12-,14+,16+,19+,20+/m0/s1

2D Structure

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2D Structure of Rdojzoukvjesiv-vslccporsa-

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
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 98.56% 82.69%
CHEMBL3137262 O60341 LSD1/CoREST complex 96.45% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.84% 95.56%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 94.56% 94.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.24% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.57% 91.11%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 92.43% 94.62%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 91.97% 93.40%
CHEMBL2581 P07339 Cathepsin D 90.44% 98.95%
CHEMBL1994 P08235 Mineralocorticoid receptor 90.33% 100.00%
CHEMBL1937 Q92769 Histone deacetylase 2 89.60% 94.75%
CHEMBL221 P23219 Cyclooxygenase-1 89.42% 90.17%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 88.60% 94.08%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.56% 97.25%
CHEMBL2850 P49840 Glycogen synthase kinase-3 alpha 86.51% 88.84%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.42% 99.23%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.16% 97.14%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 80.17% 92.67%

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.
Aristotelia chilensis

Cross-Links

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PubChem 11056019
LOTUS LTS0152183
wikiData Q105234353