Berberrubine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H16NO4
Molecular Weight	322.3346
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C2=C(C=C1)C=C3C4=CC5=C(OCO5)C=C4CC[N+]3=C2

InChI

InChIKey=GLYPKDKODVRYGP-UHFFFAOYSA-O

InChI=1S/C19H15NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,6-9H,4-5,10H2,1H3/p+1

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Candida tropicalis 2 Target ID: CHEMBL612870 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16730982	Inhibitor 8504
Toxoplasma gondii 10 Target ID: CHEMBL612888 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22425568	Inhibitor 8504

PubMed

Title	Date	PubMed
Synthesis of 13-(substituted benzyl) berberine and berberrubine derivatives as antifungal agents.	2006-08-01	16730982

Name

Type

Language

Berberrubine

Common Name

English

9-Berberoline

Preferred Name

English

Berbinium, 7,8,13,13a-tetradehydro-9-hydroxy-10-methoxy-2,3-(methylenedioxy)-

Systematic Name

English

Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9-hydroxy-10-methoxy-

Systematic Name

English

Berberrubin

Common Name

English

5,6-Dihydro-9-hydroxy-10-methoxybenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium

Systematic Name

English

Beroline

Common Name

English

Code System Code Type Description

PUBCHEM

72704

Created by admin on Wed Apr 02 16:35:05 GMT 2025 , Edited by admin on Wed Apr 02 16:35:05 GMT 2025

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FDA UNII

ZZT5GBZ8KE

Created by admin on Wed Apr 02 16:35:05 GMT 2025 , Edited by admin on Wed Apr 02 16:35:05 GMT 2025

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EPA CompTox

DTXSID90169675

Created by admin on Wed Apr 02 16:35:05 GMT 2025 , Edited by admin on Wed Apr 02 16:35:05 GMT 2025

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CAS

17388-19-1

Created by admin on Wed Apr 02 16:35:05 GMT 2025 , Edited by admin on Wed Apr 02 16:35:05 GMT 2025

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SUBSTANCE RECORD


					ZZT5GBZ8KE

Berberrubine