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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 of URSADIOL

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
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

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
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
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
Created by admin on Fri Dec 15 21:50:28 UTC 2023 , Edited by admin on Fri Dec 15 21:50:28 UTC 2023
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RXCUI
2045735
Created by admin on Fri Dec 15 21:50:28 UTC 2023 , Edited by admin on Fri Dec 15 21:50:28 UTC 2023
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PUBCHEM
5273648
Created by admin on Fri Dec 15 21:50:28 UTC 2023 , Edited by admin on Fri Dec 15 21:50:28 UTC 2023
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FDA UNII
3D089V7L0K
Created by admin on Fri Dec 15 21:50:28 UTC 2023 , Edited by admin on Fri Dec 15 21:50:28 UTC 2023
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DAILYMED
3D089V7L0K
Created by admin on Fri Dec 15 21:50:28 UTC 2023 , Edited by admin on Fri Dec 15 21:50:28 UTC 2023
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DRUG BANK
DB14555
Created by admin on Fri Dec 15 21:50:28 UTC 2023 , Edited by admin on Fri Dec 15 21:50:28 UTC 2023
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CAS
37384-13-7
Created by admin on Fri Dec 15 21:50:28 UTC 2023 , Edited by admin on Fri Dec 15 21:50:28 UTC 2023
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