acompound

Showing entry for Rescinnamine

General Compound Information
BXGC Id	BXGC0038066
Compound Name	Rescinnamine
Structure
Formula	C35H42N2O9
InchiKey	SZLZWPPUNLXJEA-QEGASFHISA-N
SMILES	COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC
Inchi	InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+
IUPAC	methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular Weight	634.29
Pubchem Id	5280954
Chembl Id	CHEMBL1668

Targets of Information Source

DrugBank

DB01180

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
P12821	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	approved	inhibitor

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

CHEMBL1668

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	18356	nM
Q9HD26	BXGT020540	Golgi-associated PDZ and coiled-coil motif-containing protein	reviewed	-	GOPC	AC50	'='	142487	nM
P13569	BXGT007923	Cystic fibrosis transmembrane conductance regulator	reviewed	Ion channel	CFTR	AC50	'='	142487	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	100000	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	100000	nM
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	Activity	-	-	-
Q9Y468	BXGT022270	Lethal(3)malignant brain tumor-like protein 1	reviewed	Epigenetic regulator	L3MBTL1	Potency	'='	35481	nM
Q8IUX4	BXGT018337	DNA dC->dU-editing enzyme APOBEC-3F	reviewed	Enzyme	APOBEC3F	Potency	-	3162	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	1835	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	281	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	18356	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	12995	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	28183	nM
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	3162	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	5804	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	5804	nM
P62826	BXGT011463	GTP-binding nuclear protein Ran	reviewed	Enzyme modulator	RAN	Potency	-	5804	nM
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	125892	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	70794	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	70794	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	5804	nM
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	Potency	-	44668	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	8912	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05814	Rauvolfia serpentina	Rauvolfia serpentina	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}