OSTRUTHIN

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H22O3
Molecular Weight	298.3762
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of OSTRUTHIN

Structure Search

SMILES

CC(C)=CCC\C(C)=C\CC1=CC2=C(OC(=O)C=C2)C=C1O

InChI

InChIKey=INBMTJJPUABOQJ-VGOFMYFVSA-N

InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+

HIDE SMILES / InChI

Molecular Formula	C19H22O3
Molecular Weight	298.3762
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
Ostruthin: an antimycobacterial coumarin from the roots of Peucedanum ostruthium.	2003-04	12709907

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:55:40 GMT 2025` Edited by `admin` on `Mon Mar 31 18:55:40 GMT 2025`
Record UNII	XHK3RR9BOR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OSTRUTHIN

Common Name

English

NSC-83434

Preferred Name

English

(E)-6-(3,7-DIMETHYL-2,6-OCTADIENYL)-7-HYDROXY-2H-1-BENZOPYRAN-2-ONE

Systematic Name

English

(E)-6-(3,7-DIMETHYL-2,6-OCTADIENYL)-7-HYDROXYCOUMARIN

Systematic Name

English

6-(3,7-DIMETHYL-2,6-OCTADIENYL)UMBELLIFERONE

Common Name

English

OSTRUTHIN [MI]

Common Name

English

Code System Code Type Description

MESH

C008719

Created by admin on Mon Mar 31 18:55:40 GMT 2025 , Edited by admin on Mon Mar 31 18:55:40 GMT 2025

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CAS

148-83-4

Created by admin on Mon Mar 31 18:55:40 GMT 2025 , Edited by admin on Mon Mar 31 18:55:40 GMT 2025

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PUBCHEM

5281420

Created by admin on Mon Mar 31 18:55:40 GMT 2025 , Edited by admin on Mon Mar 31 18:55:40 GMT 2025

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EPA CompTox

DTXSID601318569

Created by admin on Mon Mar 31 18:55:40 GMT 2025 , Edited by admin on Mon Mar 31 18:55:40 GMT 2025

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MERCK INDEX

m8264

Created by admin on Mon Mar 31 18:55:40 GMT 2025 , Edited by admin on Mon Mar 31 18:55:40 GMT 2025

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Merck Index

FDA UNII

XHK3RR9BOR

Created by admin on Mon Mar 31 18:55:40 GMT 2025 , Edited by admin on Mon Mar 31 18:55:40 GMT 2025

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NSC

83434

Created by admin on Mon Mar 31 18:55:40 GMT 2025 , Edited by admin on Mon Mar 31 18:55:40 GMT 2025

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