ATROVENETIN

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H18O6
Molecular Weight	342.3426
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ATROVENETIN

Structure Search

SMILES

C[C@H]1OC2=C3C(C)=CC(O)=C4C(=O)C(O)=C(O)C(C(O)=C2C1(C)C)=C34

InChI

InChIKey=LPHKSTXIALHGQT-SSDOTTSWSA-N

InChI=1S/C19H18O6/c1-6-5-8(20)10-11-9(6)18-13(19(3,4)7(2)25-18)14(21)12(11)16(23)17(24)15(10)22/h5,7,20-21,23-24H,1-4H3/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H18O6
Molecular Weight	342.3426
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:04:44 GMT 2025` Edited by `admin` on `Tue Apr 01 17:04:44 GMT 2025`
Record UNII	51L66L2L4F
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-DEOXYNORHERQUEINONE

Preferred Name

English

ATROVENETIN

Common Name

English

(9R)-8,9-DIHYDRO-4,5,6,7-TETRAHYDROXY-1,8,8,9-TETRAMETHYL-3H-PHENALENO(1,2-B)FURAN-3-ONE

Systematic Name

English

3H-PHENALENO(1,2-B)FURAN-3-ONE, 8,9-DIHYDRO-4,5,6,7-TETRAHYDROXY-1,8,8,9-TETRAMETHYL-, (9R)-

Systematic Name

English

ATROVENETIN, (R)-

Common Name

English

DEHYDROXY-5-NORHERQUEINONE

Common Name

English

ATROVENETIN, (+)-

Common Name

English

Code System Code Type Description

PUBCHEM

137321670

Created by admin on Tue Apr 01 17:04:44 GMT 2025 , Edited by admin on Tue Apr 01 17:04:44 GMT 2025

PRIMARY

CAS

20887-72-3

Created by admin on Tue Apr 01 17:04:44 GMT 2025 , Edited by admin on Tue Apr 01 17:04:44 GMT 2025

ALTERNATIVE

CAS

2582-86-7

Created by admin on Tue Apr 01 17:04:44 GMT 2025 , Edited by admin on Tue Apr 01 17:04:44 GMT 2025

PRIMARY

EPA CompTox

DTXSID80948719

Created by admin on Tue Apr 01 17:04:44 GMT 2025 , Edited by admin on Tue Apr 01 17:04:44 GMT 2025

PRIMARY

CAS

22185-93-9

Created by admin on Tue Apr 01 17:04:44 GMT 2025 , Edited by admin on Tue Apr 01 17:04:44 GMT 2025

ALTERNATIVE

CAS

27778-63-8

Created by admin on Tue Apr 01 17:04:44 GMT 2025 , Edited by admin on Tue Apr 01 17:04:44 GMT 2025

ALTERNATIVE

FDA UNII

51L66L2L4F

Created by admin on Tue Apr 01 17:04:44 GMT 2025 , Edited by admin on Tue Apr 01 17:04:44 GMT 2025

PRIMARY