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Details

Stereochemistry RACEMIC
Molecular Formula C18H16O4
Molecular Weight 296.3179
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DANSHENXINKUN A

SMILES

Cc1cccc2c1ccc3c2C(=O)C(=O)C(=C3O)C(C)CO

InChI

InChIKey=GRGPQNRHXNRJFL-UHFFFAOYSA-N
InChI=1S/C18H16O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(22)17(21)14(16(13)20)10(2)8-19/h3-7,10,19-20H,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H16O4
Molecular Weight 296.3179
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:30:55 UTC 2021
Edited
by admin
on Sat Jun 26 12:30:55 UTC 2021
Record UNII
I91BP9H8PF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DANSHENXINKUN A
Common Name English
TANSHINONE VI
Common Name English
1,4-PHENANTHRENEDIONE, 3-HYDROXY-2-(2-HYDROXY-1-METHYLETHYL)-8-METHYL-
Common Name English
1-HYDROXY-2-(1-HYDROXYPROPAN-2-YL)-8-METHYLPHENANTHRENE-3,4-DIONE
Common Name English
Code System Code Type Description
FDA UNII
I91BP9H8PF
Created by admin on Sat Jun 26 12:30:55 UTC 2021 , Edited by admin on Sat Jun 26 12:30:55 UTC 2021
PRIMARY
PUBCHEM
149138
Created by admin on Sat Jun 26 12:30:55 UTC 2021 , Edited by admin on Sat Jun 26 12:30:55 UTC 2021
PRIMARY
CAS
65907-75-7
Created by admin on Sat Jun 26 12:30:55 UTC 2021 , Edited by admin on Sat Jun 26 12:30:55 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT