Anhydrolycorinone

Details

• Internal ID: 07afa9a4-a875-412e-a3a0-35f30d05fa69
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives
• IUPAC Name: 5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,15(19),16-hexaen-11-one
• SMILES (Canonical): C1CN2C3=C1C=CC=C3C4=CC5=C(C=C4C2=O)OCO5
• SMILES (Isomeric): C1CN2C3=C1C=CC=C3C4=CC5=C(C=C4C2=O)OCO5
• InChI: InChI=1S/C16H11NO3/c18-16-12-7-14-13(19-8-20-14)6-11(12)10-3-1-2-9-4-5-17(16)15(9)10/h1-3,6-7H,4-5,8H2
• InChI Key: UJOHABFHKQHIKS-UHFFFAOYSA-N
• Popularity: 11 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₁NO₃
• Molecular Weight: 265.26 g/mol
• Exact Mass: 265.07389321 g/mol
• Topological Polar Surface Area (TPSA): 38.80 Ų
• XlogP: 2.50

Synonyms

• 40360-71-2
• CHEMBL481446
• CHEBI:31222
• NSC276737
• NSC-276737
• C12250
• C16H11NO3
• AC1L85AZ
• DTXSID40313767
• Q27114226

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	97.16%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.76%	91.11%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	95.49%	93.40%
CHEMBL2581	P07339	Cathepsin D	95.18%	98.95%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	93.99%	96.77%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.12%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.88%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.47%	99.23%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	84.78%	92.62%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.88%	95.89%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.23%	85.14%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.83%	100.00%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	81.81%	94.80%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.47%	94.00%
CHEMBL4895	P30530	Tyrosine-protein kinase receptor UFO	80.45%	90.95%

Plants that contains it

• Amaryllis belladonna
• Brunsvigia radulosa

Cross-Links

• PubChem: 321920
• LOTUS: LTS0087436
• wikiData: Q27114226