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Details

Stereochemistry ACHIRAL
Molecular Formula C16H16O4
Molecular Weight 272.2958
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEOXYSHIKONIN

SMILES

CC(C)=CCCC1=CC(=O)C2=C(O)C=CC(O)=C2C1=O

InChI

InChIKey=VOMDIEGPEURZJO-UHFFFAOYSA-N
InChI=1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H16O4
Molecular Weight 272.2958
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:45:14 UTC 2023
Edited
by admin
on Sat Dec 16 08:45:14 UTC 2023
Record UNII
X908DXC99I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEOXYSHIKONIN
Common Name English
ARNEBIN 7
Common Name English
5,8-DIHYDROXY-2-(4-METHYL-3-PENTENYL)-1,4-NAPHTHALENEDIONE
Systematic Name English
1,4-NAPHTHALENEDIONE, 5,8-DIHYDROXY-2-(4-METHYL-3-PENTEN-1-YL)-
Systematic Name English
1,4-NAPHTHALENEDIONE, 5,8-DIHYDROXY-2-(4-METHYL-3-PENTENYL)-
Systematic Name English
5,8-DIHYDROXY-2-(4-METHYLPENT-3-EN-1-YL)-1,4-DIHYDRONAPHTHALENE-1,4-DIONE
Systematic Name English
SHIKONIN, DEOXY-
Common Name English
5,8-DIHYDROXY-2-(4-METHYLPENT-3-ENYL)NAPHTHALENE-1,4-DIONE
Systematic Name English
J19.312G
Code English
ARNEBIN VII
Common Name English
C18133
Code English
5,8-DIHYDROXY-2-(4-METHYL-3-PENTENYL)-1,4-NAPHTHOQUINONE
Systematic Name English
5,8-DIHYDROXY-2-(4-METHYL-3-PENTEN-1-YL)-1,4-NAPHTHOQUINONE
Systematic Name English
11-DEOXYALKANNIN
Common Name English
ANHYDROALKANIN
Common Name English
DEOXYALKANNIN
Common Name English
NSC-179184
Code English
Code System Code Type Description
NSC
179184
Created by admin on Sat Dec 16 08:45:14 UTC 2023 , Edited by admin on Sat Dec 16 08:45:14 UTC 2023
PRIMARY
FDA UNII
X908DXC99I
Created by admin on Sat Dec 16 08:45:14 UTC 2023 , Edited by admin on Sat Dec 16 08:45:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID80195660
Created by admin on Sat Dec 16 08:45:14 UTC 2023 , Edited by admin on Sat Dec 16 08:45:14 UTC 2023
PRIMARY
CAS
43043-74-9
Created by admin on Sat Dec 16 08:45:14 UTC 2023 , Edited by admin on Sat Dec 16 08:45:14 UTC 2023
PRIMARY
PUBCHEM
98914
Created by admin on Sat Dec 16 08:45:14 UTC 2023 , Edited by admin on Sat Dec 16 08:45:14 UTC 2023
PRIMARY
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