Strophanthidin

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	38bac85d-6bbe-49ce-a899-a2f523913773
Taxonomy	Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Cardenolides and derivatives
IUPAC Name	(3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SMILES (Canonical)	CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=O)O
SMILES (Isomeric)	C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O
InChI	InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1
InChI Key	ODJLBQGVINUMMR-HZXDTFASSA-N
Popularity	1,438 references in papers

Physical and Chemical Properties

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Molecular Formula	C₂₃H₃₂O₆
Molecular Weight	404.50 g/mol
Exact Mass	404.21988874 g/mol
Topological Polar Surface Area (TPSA)	104.00 Å²
XlogP	0.60

Synonyms

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Strophanthidine

Convallatoxigenin

66-28-4

Corchsularin

k-Strophanthidin

Corchorgenin

Corchorin

Erysimupicrone

Corchoside A aglycon

Strophanthidin K

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
CHEMBL4096	P04637	Cellular tumor antigen p53	501.2 nM 501.2 nM 501.2 nM	Potency Potency Potency	via Super-PRED via CMAUP via Super-PRED
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	501.2 nM	Potency	via Super-PRED
CHEMBL1293277	O15118	Niemann-Pick C1 protein	1778.3 nM	Potency	via CMAUP
CHEMBL2362980	Q06710	Paired box protein Pax-8	2220 nM < 260 nM	AC50 AC50	via CMAUP via CMAUP
CHEMBL1293294	P51151	Ras-related protein Rab-9A	1412.5 nM	Potency	via CMAUP
CHEMBL1963	P16473	Thyroid stimulating hormone receptor	25.1 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1994	P08235	Mineralocorticoid receptor	95.91%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.88%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.88%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.04%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.25%	94.45%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	91.80%	82.69%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.15%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.80%	97.09%
CHEMBL4208	P20618	Proteasome component C5	85.73%	90.00%
CHEMBL1871	P10275	Androgen Receptor	85.31%	96.43%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.26%	95.89%
CHEMBL3492	P49721	Proteasome Macropain subunit	83.95%	90.24%
CHEMBL2581	P07339	Cathepsin D	82.15%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.69%	97.25%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	81.59%	93.40%
CHEMBL226	P30542	Adenosine A1 receptor	81.54%	95.93%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	81.39%	93.04%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.24%	97.14%
CHEMBL3922	P50579	Methionine aminopeptidase 2	80.86%	97.28%
CHEMBL3746	P80365	11-beta-hydroxysteroid dehydrogenase 2	80.43%	94.78%

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.

Adonis aestivalis

Adonis tianschanicus

Antiaris toxicaria

Apocynum androsaemifolium

Cryptolepis nigrescens

Descurainia sophia

Erysimum cheiranthoides

Erysimum cheiri