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Details

Stereochemistry ACHIRAL
Molecular Formula C19H18O6S
Molecular Weight 374.408
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TANSHINONE IIA SULFONIC ACID

SMILES

CC1=C(OC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C)S(O)(=O)=O

InChI

InChIKey=UJCACMLMPLLRGW-UHFFFAOYSA-N
InChI=1S/C19H18O6S/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)24/h6-7H,4-5,8H2,1-3H3,(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C19H18O6S
Molecular Weight 374.408
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: O00748
Gene ID: 8824.0
Gene Symbol: CES2
Target Organism: Homo sapiens (Human)
3.9 µM [Ki]
PubMed

PubMed

TitleDatePubMed
Modulation of esterified drug metabolism by tanshinones from Salvia miltiorrhiza ("Danshen").
2013 Jan 25
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:46:33 GMT 2023
Edited
by admin
on Sat Dec 16 11:46:33 GMT 2023
Record UNII
5CKR8JG9OW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TANSHINONE IIA SULFONIC ACID
Common Name English
PHENANTHRO(1,2-B)FURAN-2-SULFONIC ACID, 6,7,8,9,10,11-HEXAHYDRO-1,6,6-TRIMETHYL-10,11-DIOXO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701016164
Created by admin on Sat Dec 16 11:46:33 GMT 2023 , Edited by admin on Sat Dec 16 11:46:33 GMT 2023
PRIMARY
PUBCHEM
125782
Created by admin on Sat Dec 16 11:46:33 GMT 2023 , Edited by admin on Sat Dec 16 11:46:33 GMT 2023
PRIMARY
FDA UNII
5CKR8JG9OW
Created by admin on Sat Dec 16 11:46:33 GMT 2023 , Edited by admin on Sat Dec 16 11:46:33 GMT 2023
PRIMARY
CAS
105937-56-2
Created by admin on Sat Dec 16 11:46:33 GMT 2023 , Edited by admin on Sat Dec 16 11:46:33 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY