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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22O5
Molecular Weight 354.3964
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GANCAONIN I

SMILES

COC1=CC2=C(C=C(O2)C3=C(O)C=C(O)C=C3)C(OC)=C1CC=C(C)C

InChI

InChIKey=DKVBYQAVNNRVNN-UHFFFAOYSA-N
InChI=1S/C21H22O5/c1-12(2)5-7-15-18(24-3)11-20-16(21(15)25-4)10-19(26-20)14-8-6-13(22)9-17(14)23/h5-6,8-11,22-23H,7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H22O5
Molecular Weight 354.3964
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
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:55:55 UTC 2023
Edited
by admin
on Sat Dec 16 09:55:55 UTC 2023
Record UNII
6XTP69UV3S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GANCAONIN I
Common Name English
1,3-BENZENEDIOL, 4-(4,6-DIMETHOXY-5-(3-METHYL-2-BUTEN-1-YL)-2-BENZOFURANYL)-
Systematic Name English
4-(4,6-DIMETHOXY-5-(3-METHYL-2-BUTEN-1-YL)-2-BENZOFURANYL)-1,3-BENZENEDIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
480777
Created by admin on Sat Dec 16 09:55:56 UTC 2023 , Edited by admin on Sat Dec 16 09:55:56 UTC 2023
PRIMARY
FDA UNII
6XTP69UV3S
Created by admin on Sat Dec 16 09:55:56 UTC 2023 , Edited by admin on Sat Dec 16 09:55:56 UTC 2023
PRIMARY
CAS
126716-36-7
Created by admin on Sat Dec 16 09:55:56 UTC 2023 , Edited by admin on Sat Dec 16 09:55:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID90155275
Created by admin on Sat Dec 16 09:55:56 UTC 2023 , Edited by admin on Sat Dec 16 09:55:56 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
GANCAONIN I showed antibacterial activity against MSSAs (strains FDA 209P and Smith) and MRSAs(strains K3 and ST 28) (MICs1.56?25 ug/ml). This compound exhibited antimicrobial activity against Micrococcus luteus ATCC 9341 and Bacillus subtilis PCI 219 (MICs3.13?25 ug/ml) but not against Klebsiella pneumoniae PCI 602 and Pseudomonas aeruginosa IFO 3445.
PARENT -> CONSTITUENT ALWAYS PRESENT