EPIBERBERINE ION

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H18NO4
Molecular Weight	336.3612
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OC)C=C2C(CC[N+]3=CC4=C(C=CC5=C4OCO5)C=C23)=C1

InChI

InChIKey=FPJQGFLUORYYPE-UHFFFAOYSA-N

InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Potency
Beta-2 adrenergic receptor 203 Target ID: CHEMBL210 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30155694	Antagonist 2778	2.3 µM [IC50]
Angiotensin-converting enzyme 97 Target ID: CHEMBL2096989 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30391811	Inhibitor 8297
Cytochrome P450 2D6 61 Target ID: CHEMBL289 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29343943	Inhibitor 8297	25.44 µM [Ki]
Cytochrome P450 2C9 50 Target ID: CHEMBL3397 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29343943	Inhibitor 8297	5.64 µM [Ki]

PubMed

Title	Date	PubMed
Rapid and simultaneous analysis of five alkaloids in four parts of Coptidis Rhizoma by near-infrared spectroscopy.	2018 Jan 5	28780486
Comparative pharmacokinetics study of five alkaloids in rat plasma and related compound-herb interactions mechanism after oral administration of Shuanghua Baihe tablets.	2018 Sep	28871816
Ligand Selectivity in the Recognition of Protoberberine Alkaloids by Hybrid-2 Human Telomeric G-Quadruplex: Binding Free Energy Calculation, Fluorescence Binding, and NMR Experiments.	2019 Apr 21	31010072
Molecular Recognition of the Hybrid-Type G-Quadruplexes in Human Telomeres.	2019 Apr 22	31013622

Name

Type

Language

EPIBERBERINE ION

Common Name

English

Epiberberine [WHO-DD]

Common Name

English

11,12-DIHYDRO-8,9-DIMETHOXYBENZO(A)-1,3-BENZODIOXOLO(4,5-G)QUINOLIZINIUM

Systematic Name

English

EPIBERBERINE CATION

Common Name

English

BENZO(A)-1,3-BENZODIOXOLO(4,5-G)QUINOLIZINIUM, 11,12-DIHYDRO-8,9-DIMETHOXY-

Systematic Name

English

DEHYDROSINACTINE

Common Name

English

EPIBERBERINE

Common Name

English

Code System Code Type Description

PUBCHEM

160876

Created by admin on Sat Dec 16 19:01:09 GMT 2023 , Edited by admin on Sat Dec 16 19:01:09 GMT 2023

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EPA CompTox

DTXSID90218854

Created by admin on Sat Dec 16 19:01:09 GMT 2023 , Edited by admin on Sat Dec 16 19:01:09 GMT 2023

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CAS

6873-09-2

Created by admin on Sat Dec 16 19:01:09 GMT 2023 , Edited by admin on Sat Dec 16 19:01:09 GMT 2023

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FDA UNII

VWP9N35AYS

Created by admin on Sat Dec 16 19:01:09 GMT 2023 , Edited by admin on Sat Dec 16 19:01:09 GMT 2023

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ACTIVE MOIETY


					VWP9N35AYS

EPIBERBERINE ION

SALT/SOLVATE (PARENT)


					ND559X5J59

EPIBERBERINE CHLORIDE