EPIBERBERINE CHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H18NO4.Cl
Molecular Weight	371.814
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=DGRBIBRPLDAHJH-UHFFFAOYSA-M

InChI=1S/C20H18NO4.ClH/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;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C20H18NO4
Molecular Weight	336.3612
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Cl
Molecular Weight	35.453
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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
Molecular Recognition of the Hybrid-Type G-Quadruplexes in Human Telomeres.	2019 Apr 22	31013622
Rhizoma Coptidis for Alzheimer's Disease and Vascular Dementia: A Literature Review.	2020	31291876

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:01:08 GMT 2023` Edited by `admin` on `Sat Dec 16 19:01:08 GMT 2023`
Record UNII	ND559X5J59
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPIBERBERINE CHLORIDE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

71467079

Created by admin on Sat Dec 16 19:01:08 GMT 2023 , Edited by admin on Sat Dec 16 19:01:08 GMT 2023

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FDA UNII

ND559X5J59

Created by admin on Sat Dec 16 19:01:08 GMT 2023 , Edited by admin on Sat Dec 16 19:01:08 GMT 2023

PRIMARY

CAS

889665-86-5

Created by admin on Sat Dec 16 19:01:08 GMT 2023 , Edited by admin on Sat Dec 16 19:01:08 GMT 2023

PRIMARY

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