Digitoxin

Details

• Internal ID: 68d94ae3-1300-4ec6-a049-d10d32eb05fa
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Cardenolides and derivatives > Cardenolide glycosides and derivatives
• IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
• SMILES (Canonical): CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O
• SMILES (Isomeric): C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O
• InChI: InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
• InChI Key: WDJUZGPOPHTGOT-XUDUSOBPSA-N
• Popularity: 7,377 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₁H₆₄O₁₃
• Molecular Weight: 764.90 g/mol
• Exact Mass: 764.43469209 g/mol
• Topological Polar Surface Area (TPSA): 183.00 Ų
• XlogP: 2.30
• Atomic LogP (AlogP): 3.25
• H-Bond Acceptor: 13
• H-Bond Donor: 5
• Rotatable Bonds: 7

Synonyms

• 71-63-6
• Digitoxoside
• Crystodigin
• Digitoxinum
• Unidigin
• Digitophyllin
• Cristapurat
• Digitoksin
• Purpurid
• Cardidigin
• Cardigin
• Carditoxin
• Coramedan
• Digimerck
• Glucodigin
• Lanatoxin
• Digicor
• Digipural
• Digisidin
• Myodigin
• Digitalin, crystalline
• Crystodigin (TN)
• tradigal
• Digitoxosidum
• Asthenthilo
• Carditalin
• Digitaline
• Digitoksim
• Digitossina
• Digitoxina
• Digitoxine
• Digitrin
• Monodigitoxoside
• Mono-digitoxid
• Mono-glycocard
• Tri-digitoxoside
• DigitoXin, USP
• Digitalis
• Digitoxigenin tridigitoxoside
• Acedoxin
• Tardigal
• Digitoxigenin-tridigitoxosid
• Digitaline nativelle
• Digitossina [DCIT]
• Digilong
• Purodigin
• Digimed
• Ditaven
• Natigal
• Caswell No. 349
• Cardiolanata
• Lanostabil
• Digilanid
• Pandigal
• Panlanat
• Mono-digitoxid [German]
• De-Tone
• Digitoxine [INN-French]
• Digitoxinum [INN-Latin]
• Tri-digitoxoside [German]
• Digitoxina [INN-Spanish]
• UNII-E90NZP2L9U
• Crystalline digitalin
• E90NZP2L9U
• Purodigin, crystalline
• Digitaline cristallisee
• CCRIS 7116
• HSDB 215
• Digitalinum verum
• DTXSID0022933
• CHEBI:28544
• NSC 7529
• NSC-7529
• EINECS 200-760-5
• Digitoxigenin-tridigitoxosid [German]
• 1339-93-1
• EPA Pesticide Chemical Code 097002
• BRN 0076678
• Digitoxin [INN:BAN:JAN]
• MLS000069787
• DTXCID102933
• Digitoxin [USP:INN:BAN:JAN]
• 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
• Digitoxin 100 microg/mL in Acetonitrile
• SMR000058529
• C41H64O13
• DIGITOXIN (USP-RS)
• DIGITOXIN [USP-RS]
• Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
• DIGITOXIN (EP MONOGRAPH)
• DIGITOXIN (USP IMPURITY)
• DIGITOXIN [EP MONOGRAPH]
• DIGITOXIN [USP IMPURITY]
• DIGITOXIN (USP MONOGRAPH)
• DIGITOXIN [USP MONOGRAPH]
• NSC7529
• CAS-71-63-6
• DIGOXIN IMPURITY A (EP IMPURITY)
• DIGOXIN IMPURITY A [EP IMPURITY]
• 3beta-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide
• Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
• Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy, (3beta,5beta)-
• inhibits Na+/K+ ATPase
• C12H13F13N2O3
• Digitaline (TN)
• C12-H13-F13-N2-O3
• NCGC00159428-02
• 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
• 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13
• 3beta-(2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide
• 3beta-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide
• Digitoxin for LC assay
• DIGITOXIN [INN]
• DIGITOXIN [JAN]
• DIGITOXIN [MI]
• DIGITOXIN [HSDB]
• DIGITOXIN [VANDF]
• DIGITOXINUM [HPUS]
• D0M3QP
• DIGITOXIN [WHO-DD]
• DIGITOXIN [WHO-IP]
• Digitoxin (JAN/USP/INN)
• Digitoxin [BAN:INN:JAN]
• SCHEMBL20940
• Digitoxin (JP15/USP/INN)
• CHEMBL254219
• cid_441207
• GTPL6782
• MEGxp0_001901
• DIGITOXIN [ORANGE BOOK]
• REGID_for_CID_441207
• ACon0_000319
• ACon1_000610
• BDBM46356
• C01AA04
• 5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy-, 3-[tris-(digitoxoside)]
• WDJUZGPOPHTGOT-XUDUSOBPSA-N
• DIGITOXINUM [WHO-IP LATIN]
• CARD-20(22)-ENOLIDE, 3-((O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.,5.BETA.)-
• HY-B1357
• Tox21_111659
• Tox21_302269
• CP4071
• LMST01120018
• AKOS015915863
• Digitoxin, >=92% (HPLC), powder
• Tox21_111659_1
• CCG-208538
• CS-5502
• DB01396
• SMP1_000096
• USEPA/OPP Pesticide Code: 097002
• NCGC00094652-06
• NCGC00142623-02
• NCGC00142623-03
• NCGC00142623-04
• NCGC00142623-05
• NCGC00255265-01
• AS-75726
• SBI-0051348.P003
• D0542
• LT00244784
• C06955
• D00297
• D89676
• EN300-123649
• Q423890
• Q-100791
• SR-01000721879-2
• BRD-K63668566-001-01-7
• A572A148-EC30-47D2-A32A-C9D8A93F8EFC
• Digitoxin, British Pharmacopoeia (BP) Reference Standard
• Z1552200029
• Digitoxin, European Pharmacopoeia (EP) Reference Standard
• Digitoxin, United States Pharmacopeia (USP) Reference Standard
• (3.BETA.,5.BETA.)-3-((O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXAPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE
• (3.BETA.,5.BETA.)-3-((O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE
• (3beta,5beta)-3-((O-2,6-DIDEOXY-beta-D-RIBO-HEXAPYRANOSYL-(1->4)-2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE
• (3beta,5beta)-3-((O-2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE
• (3beta,5beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
• (3beta,5beta)-3-((O-2,6-Dideoxy-beta-D-ribohexopyranosyl-(1-4)-O-2,6-dideoxy-bet a-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydro xycard-20(22)-enolide
• (3beta,5beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide
• 3.BETA.-((2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-5.BETA.-CARD-20(22)-ENOLIDE
• 3beta-((2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-5beta-CARD-20(22)-ENOLIDE
• 3beta-(2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy)-14-hydroxy-5beta,14beta-card-20(22)-enolide
• 4-((1S,2S,5S,11S,7R,10R,14R,15R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-methyl (2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5 ,6-tetrahydropyran-2-yloxy)](4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5,6-tetrah ydropyran-2-yloxy)
• 4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(((2R,4S,5S,6R)-5-(((2S,4S,5S,6R)-5-(((2S,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
• 4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
• 4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
• 8006-96-0
• Card-20(22)-enolida, 3-[(o-2,6-dideoxi-?-d-ribo-hexopiranosil-(1?4)-o-2,6-dideoxi-?-d-ribo-hexopiranosil-(1?4)-2,6-dideoxi-?-d-ribo-hexopiranosil)oxi]-14-hidroxi-, (3?,5?)-
• Card-20(22)-enolide, 3-((O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
• Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
• CARD-20(22)-ENOLIDE, 3-((O-2,6-DIDEOXY-BETA-D-RIBO-HEXOPYRANOSYL-(HEXOPYRANOSYL-(1-4)-2,6-DIDEOXY-BETA-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-,(3BETA, 5BETA)-
• Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-
• Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1?4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.9631	96.31%
Caco-2	-	0.9257	92.57%
Blood Brain Barrier	-	0.9250	92.50%
Human oral bioavailability	+	0.8286	82.86%
Subcellular localzation	Mitochondria	0.8620	86.20%
OATP2B1 inhibitior	-	0.9048	90.48%
OATP1B1 inhibitior	+	0.9441	94.41%
OATP1B3 inhibitior	+	0.9479	94.79%
MATE1 inhibitior	-	1.0000	100.00%
OCT2 inhibitior	-	0.9750	97.50%
BSEP inhibitior	+	0.8864	88.64%
P-glycoprotein inhibitior	+	0.7320	73.20%
P-glycoprotein substrate	+	0.9343	93.43%
CYP3A4 substrate	+	0.6580	65.80%
CYP2C9 substrate	-	1.0000	100.00%
CYP2D6 substrate	-	0.9026	90.26%
CYP3A4 inhibition	-	0.9010	90.10%
CYP2C9 inhibition	-	0.9082	90.82%
CYP2C19 inhibition	-	0.9258	92.58%
CYP2D6 inhibition	-	0.9412	94.12%
CYP1A2 inhibition	-	0.8902	89.02%
CYP2C8 inhibition	-	0.9392	93.92%
CYP inhibitory promiscuity	-	0.9381	93.81%
UGT catelyzed	+	0.7000	70.00%
Carcinogenicity (binary)	-	1.0000	100.00%
Carcinogenicity (trinary)	Non-required	0.5211	52.11%
Eye corrosion	-	0.9909	99.09%
Eye irritation	-	0.9541	95.41%
Skin irritation	+	0.5730	57.30%
Skin corrosion	-	0.9385	93.85%
Ames mutagenesis	-	0.5324	53.24%
Human Ether-a-go-go-Related Gene inhibition	+	0.8599	85.99%
Micronuclear	-	0.8300	83.00%
Hepatotoxicity	-	0.8750	87.50%
skin sensitisation	-	0.9061	90.61%
Respiratory toxicity	+	0.9000	90.00%
Reproductive toxicity	+	0.9000	90.00%
Mitochondrial toxicity	+	0.7000	70.00%
Nephrotoxicity	-	0.8531	85.31%
Acute Oral Toxicity (c)	I	0.7997	79.97%
Estrogen receptor binding	+	0.8906	89.06%
Androgen receptor binding	+	0.8695	86.95%
Thyroid receptor binding	-	0.8319	83.19%
Glucocorticoid receptor binding	+	0.6759	67.59%
Aromatase binding	+	0.8063	80.63%
PPAR gamma	+	0.7433	74.33%
Honey bee toxicity	-	0.6831	68.31%
Biodegradation	-	0.6750	67.50%
Crustacea aquatic toxicity	+	0.6300	63.00%
Fish aquatic toxicity	+	0.9797	97.97%

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL4096	P04637	Cellular tumor antigen p53	20 nM; 31.6 nM; 31.6 nM	Potency; Potency; Potency	via Super-PRED; via CMAUP; via Super-PRED
CHEMBL1293224	P10636	Microtubule-associated protein tau	7079.5 nM; 14125.4 nM	Potency; Potency	via CMAUP; via CMAUP
CHEMBL1293277	O15118	Niemann-Pick C1 protein	251.2 nM; 251.2 nM	Potency; Potency	via Super-PRED; via CMAUP
CHEMBL1293235	P02545	Prelamin-A/C	1122 nM; 707.9 nM; 707.9 nM	Potency; Potency; Potency	via CMAUP; via Super-PRED; via CMAUP
CHEMBL1293294	P51151	Ras-related protein Rab-9A	223.9 nM; 223.9 nM	Potency; Potency	via Super-PRED; via CMAUP
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	700 nM; 700 nM	IC50; IC50	via Super-PRED; via CMAUP
CHEMBL2073690	Q6ZQN7	Solute carrier organic anion transporter family member 4C1	120 nM	IC50	PMID: 14993604

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.88%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	96.32%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.11%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.85%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	94.49%	97.09%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	92.08%	96.77%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.33%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.34%	95.56%
CHEMBL241	Q14432	Phosphodiesterase 3A	87.67%	92.94%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.70%	85.14%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.24%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.92%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.32%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.99%	89.00%
CHEMBL1871	P10275	Androgen Receptor	83.95%	96.43%
CHEMBL2581	P07339	Cathepsin D	81.75%	98.95%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.60%	97.14%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.91%	97.25%
CHEMBL4208	P20618	Proteasome component C5	80.74%	90.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.38%	90.71%
CHEMBL3713062	P10646	Tissue factor pathway inhibitor	80.15%	97.33%

Plants that contains it

• Begonia glabra
• Cordyline fruticosa
• Digitalis ciliata
• Digitalis grandiflora
• Digitalis lanata
• Digitalis obscura
• Digitalis purpurea
• Erysimum repandum
• Hemerocallis fulva
• Karpatiosorbus latifolia
• Luffa aegyptiaca
• Phoenix canariensis
• Rubus coreanus
• Strychnos splendens

Cross-Links

• PubChem: 441207
• NPASS: NPC72260
• ChEMBL: CHEMBL254219
• LOTUS: LTS0093833
• wikiData: Q423890