Lycoricidin-A

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	700e2a3a-fd72-40b9-8c93-482f82445265
Taxonomy	Alkaloids and derivatives > Amaryllidaceae alkaloids > Phenanthridine- and phenanthridone-type amaryllidaceae alkaloids
IUPAC Name	2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
SMILES (Canonical)	C1OC2=C(O1)C(=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O)O
SMILES (Isomeric)	C1OC2=C(O1)C(=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O)O
InChI	InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)
InChI Key	LZAZURSABQIKGB-UHFFFAOYSA-N
Popularity	6 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₄H₁₃NO₇
Molecular Weight	307.25 g/mol
Exact Mass	307.06920175 g/mol
Topological Polar Surface Area (TPSA)	129.00 Å²
XlogP	-1.20

Synonyms

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Nacriclasine

Narciclasina

Lycoricidin-A

MLS002703039

CHEMBL367376

SCHEMBL13153863

LZAZURSABQIKGB-UHFFFAOYSA-N

SMR001566847

FT-0777290

[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, [2S-(2.alpha.,3.beta.,4.beta.,4a.beta.)]-

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.78%	91.11%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	98.41%	96.77%
CHEMBL2581	P07339	Cathepsin D	94.82%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.80%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.32%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.22%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.75%	94.45%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	87.24%	96.21%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.23%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.54%	99.23%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.91%	90.71%
CHEMBL1951	P21397	Monoamine oxidase A	83.17%	91.49%
CHEMBL4296	Q15858	Sodium channel protein type IX alpha subunit	82.64%	96.11%
CHEMBL2535	P11166	Glucose transporter	82.49%	98.75%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.34%	95.89%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.36%	96.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.56%	94.00%

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.

Scadoxus multiflorus subsp. multiflorus