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Details

Stereochemistry ACHIRAL
Molecular Formula C18H12O3
Molecular Weight 276.2867
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTANSHINONE I

SMILES

Cc1cccc2c1ccc3c2C(=O)c4c(c(C)co4)C3=O

InChI

InChIKey=XYKZSUXWBGUGQV-UHFFFAOYSA-N
InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-8H,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H12O3
Molecular Weight 276.2867
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:47:59 UTC 2021
Edited
by admin
on Fri Jun 25 23:47:59 UTC 2021
Record UNII
ZP10KC083W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOTANSHINONE I
Common Name English
4,8-DIMETHYLNAPHTHO(2,1-F)(1)BENZOFURAN-7,11-DIONE
Common Name English
Code System Code Type Description
FDA UNII
ZP10KC083W
Created by admin on Fri Jun 25 23:47:59 UTC 2021 , Edited by admin on Fri Jun 25 23:47:59 UTC 2021
PRIMARY
PUBCHEM
623940
Created by admin on Fri Jun 25 23:47:59 UTC 2021 , Edited by admin on Fri Jun 25 23:47:59 UTC 2021
PRIMARY
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