(-)-Conolidine

Details

• Internal ID: afaf260e-1ae0-4c7e-b011-63db03e3ec78
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles
• IUPAC Name: (13R,14E)-14-ethylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one
• InChI: InChI=1S/C17H18N2O/c1-2-11-9-19-8-7-12(11)17(20)16-14(10-19)13-5-3-4-6-15(13)18-16/h2-6,12,18H,7-10H2,1H3/b11-2-/t12-/m1/s1
• InChI Key: DBGBUYFOJXOYNY-MFUWOIKSSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₈N₂O
• Molecular Weight: 266.34 g/mol
• Exact Mass: 266.141913202 g/mol
• Topological Polar Surface Area (TPSA): 36.10 Ų
• XlogP: 2.30

Synonyms

• CHEMBL4597497
• SCHEMBL24588606
• NSC799247
• NSC-799247
• 1312678-75-3

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.86%	95.56%
CHEMBL2581	P07339	Cathepsin D	96.35%	98.95%
CHEMBL3310	Q96DB2	Histone deacetylase 11	91.07%	88.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.70%	96.09%
CHEMBL3192	Q9BY41	Histone deacetylase 8	90.52%	93.99%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.30%	89.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.22%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.54%	99.23%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.47%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.35%	94.45%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.27%	97.25%
CHEMBL5103	Q969S8	Histone deacetylase 10	85.43%	90.08%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.00%	95.89%
CHEMBL2535	P11166	Glucose transporter	83.78%	98.75%
CHEMBL255	P29275	Adenosine A2b receptor	82.26%	98.59%
CHEMBL228	P31645	Serotonin transporter	81.45%	95.51%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	80.06%	93.40%

Plants that contains it

• Tabernaemontana divaricata

Cross-Links

• PubChem: 51051654
• LOTUS: LTS0075674
• wikiData: Q104888971