Mollugin

COC(=O)C1=C(O)C2=C(C=CC=C2)C3=C1C=CC(C)(C)O3

InChIKey=VLGATXOTCNBWIT-UHFFFAOYSA-N

InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3

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

Targets

Primary Target	Pharmacology	Potency
Hepatitis B virus 8 Target ID: CHEMBL613497 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8882438	Inhibitor 8504
removal of superoxide radicals 4 Target ID: GO:0019430 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24388865	Activator 1447	0.7 µM [IC50]
Escherichia coli 82 Target ID: CHEMBL354 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24388865	Inhibitor 8504

PubMed

Title	Date	PubMed
Inhibition of hepatitis B surface antigen secretion on human hepatoma cells. Components from Rubia cordifolia.	1996-03	8882438

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:03:29 GMT 2025` Edited by `admin` on `Mon Mar 31 23:03:29 GMT 2025`
Record UNII	M98N6A8Z2F
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

Rubimaillin

Preferred Name

English

Mollugin

Common Name

English

2H-Naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

M98N6A8Z2F

Created by admin on Mon Mar 31 23:03:29 GMT 2025 , Edited by admin on Mon Mar 31 23:03:29 GMT 2025

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EPA CompTox

DTXSID30204059

Created by admin on Mon Mar 31 23:03:29 GMT 2025 , Edited by admin on Mon Mar 31 23:03:29 GMT 2025

PRIMARY

PUBCHEM

124219

Created by admin on Mon Mar 31 23:03:29 GMT 2025 , Edited by admin on Mon Mar 31 23:03:29 GMT 2025

PRIMARY

CAS

55481-88-4

Created by admin on Mon Mar 31 23:03:29 GMT 2025 , Edited by admin on Mon Mar 31 23:03:29 GMT 2025

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