Cliviamartine

Details

• Internal ID: 54045594-9444-466e-b978-adbfb055a12a
• Taxonomy: Alkaloids and derivatives > Amaryllidaceae alkaloids > Homolycorine-type amaryllidaceae alkaloids
• IUPAC Name: 3-O-ethyl 5-O-[(2S,3R,7R,10R)-4-methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-9-yl] 2,6-dimethylpyridine-3,5-dicarboxylate
• InChI: InChI=1S/C28H30N2O8/c1-5-34-26(31)16-9-17(14(3)29-13(16)2)27(32)37-22-8-15-6-7-30(4)24(15)23-18-10-20-21(36-12-35-20)11-19(18)28(33)38-25(22)23/h9-11,15,22-25H,5-8,12H2,1-4H3/t15-,22?,23+,24-,25+/m1/s1
• InChI Key: CIGBOXJOIYMZFE-XFDKXYDFSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₃₀N₂O₈
• Molecular Weight: 522.50 g/mol
• Exact Mass: 522.20021592 g/mol
• Topological Polar Surface Area (TPSA): 113.00 Ų
• XlogP: 3.70

Synonyms

• 76983-01-2
• Lycorenan-7-one, 5-(((5-(ethoxycarbonyl)-2,6-dimethyl-3-pyridinyl)carbonyl)oxy)-4,12-dihydro-1-methyl-9,10-(methylenebis(oxy))-,5alpha,12beta,13beta)-

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
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	96.90%	96.77%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.07%	96.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	93.53%	99.23%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	93.46%	95.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.59%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.41%	95.56%
CHEMBL2581	P07339	Cathepsin D	89.72%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.10%	94.00%
CHEMBL221	P23219	Cyclooxygenase-1	89.09%	90.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.29%	85.14%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	88.19%	93.65%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	86.65%	92.62%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	85.85%	90.24%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	84.83%	94.42%
CHEMBL4530	P00488	Coagulation factor XIII	83.92%	96.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.02%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.93%	97.09%
CHEMBL230	P35354	Cyclooxygenase-2	80.90%	89.63%

Plants that contains it

• Clivia miniata

Cross-Links

• PubChem: 129010900
• LOTUS: LTS0134346
• wikiData: Q104394887