URSADIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O2
Molecular Weight	442.7168
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@]3(C)[C@]([H])(CCC4=C5CC(C)(C)CC[C@]5(C)[C@@H](O)C[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C

InChI

InChIKey=RTLXJEJRLWILSU-GWNGJUQLSA-N

InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h21-24,31-32H,9-18H2,1-8H3/t21-,22+,23-,24-,27-,28-,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O2
Molecular Weight	442.7168
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15635183

Coﬂodiol, also known as ursadiol, is a triterpenoid, isolated from the non-saponifiable lipid fraction of the flower extract of chrysanthemum (Chrysanthemum morifolium). This compound possesses minimal antitubercular activity against Mycobacterium tuberculosis.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Mycobacterium tuberculosis 1 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15635183	Curative		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Antitubercular activity of triterpenoids from Asteraceae flowers.	2005 Jan	15635183

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Antitubercular activity of compounds in DMSO was determined against Mycobacterium tuberculosis H37Rv (ATCC 27294) in Middlebrook 7H12 medium. Minimum Inhibitory Concentrations for Coﬂodiol was >64 ug/mL

Substance Class	Chemical Created by `admin` on `Fri Dec 15 21:50:28 GMT 2023` Edited by `admin` on `Fri Dec 15 21:50:28 GMT 2023`
Record UNII	3D089V7L0K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

URSADIOL

Common Name

English

OLEAN-13(18)-ENE-3,16-DIOL, (3.BETA.,16.BETA.)-

Common Name

English

COFLODIOL

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00190819