Showing entry for Rauwolfia Serpentina


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0039485
Compound NameRauwolfia Serpentina
Structure
FormulaC21H24N2O3
InchiKeyGRTOGORTSDXSFK-XJTZBENFSA-N
SMILESCOC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1)C
InchiInChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1
IUPAC
Molecular Weight352.18
Pubchem Id441975
Chembl IdCHEMBL123325
Targets of Information Source
DrugBank n.a
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
PDB AJN
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
P10635 BXGT007595 Cytochrome P450 2D6 reviewed CYP2D6 - - - - -
Binding DB 50030612
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
reviewed BXGT007595 Cytochrome P450 2D6 reviewed CYP2D6 4.6 - - -
reviewed BXGT007595 Cytochrome P450 2D6 reviewed CYP2D6 3.3 - - -
reviewed BXGT007595 Cytochrome P450 2D6 reviewed CYP2D6 14 - - -
reviewed BXGT007595 Cytochrome P450 2D6 reviewed CYP2D6 13 - - -
reviewed BXGT007595 Cytochrome P450 2D6 reviewed CYP2D6 3.5 - - -
reviewed BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B 15 - - -
reviewed BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A 8.2 - - -
reviewed BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C 5 - - -
reviewed BXGT008717 Voltage-dependent L-type calcium channel subunit alpha-1C reviewed Cacna1c 289 - - -
reviewed BXGT007595 Cytochrome P450 2D6 reviewed CYP2D6 5.7 - - -
CHEMBL CHEMBL123325
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
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 10000 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 '=' 7 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 31622 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 15848 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 '=' 10000 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 14125 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 14125 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 '=' 12589 nM
P18089 BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B Ki '=' 14 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Ki '=' 4 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 5011 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Ki '=' 13 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Ki '=' 14 nM
P08913 BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A Ki '=' 8 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 '=' 10000 nM
P22002 BXGT008717 Voltage-dependent L-type calcium channel subunit alpha-1C reviewed - Cacna1c Ki '=' 289 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 10000 nM
P68871 BXGT011615 Hemoglobin subunit beta reviewed - HBB Potency '=' 12589 nM
Q9WKE8 BXGT021921 Reverse transcriptase unreviewed - reverse IC50 '>' 200 ug.mL-1
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 7 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Ki '=' 3 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Ki '=' 5 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Ki '=' 3 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 5610 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 70 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 3981 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 12589 nM
P18825 BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C Ki '=' 5 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 '=' 1 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 12589 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 2 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 7 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 7943 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 7943 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00954 Ixeris chinensis Ixeris chinensis Medicinal Plant
BXGF02095 Mitragyna speciosa Mitragyna speciosa Medicinal Plant
BXGF02745 Rauvolfia verticillata Rauvolfia verticillata Medicinal Plant
BXGF02983 Penstemon gentianoides Penstemon gentianoides Medicinal Plant
BXGF03655 Uncaria africana Uncaria africana Medicinal Plant
BXGF04067 Anthyllis onobrychoides Anthyllis onobrychoides Others
BXGF04135 Atropa belladonna Atropa belladonna Medicinal Plant
BXGF04506 Sarcococca saligna Sarcococca saligna Medicinal Plant
BXGF05237 Knautia montana Knautia montana Others
BXGF05335 Uncaria elliptica Uncaria elliptica Medicinal Plant
BXGF05552 Catharanthus roseus Catharanthus roseus Medicinal Plant
BXGF05597 Picris conyzoides Picris conyzoides Others
BXGF05814 Rauvolfia serpentina Rauvolfia serpentina Medicinal Plant
BXGF06025 Euphorbia pannonica Euphorbia pannonica Others
BXGF06048 Cryptocarya lividula Cryptocarya lividula Others
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