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Details

Stereochemistry ACHIRAL
Molecular Formula C25H26O6
Molecular Weight 422.4703
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOANGUSTONE A

SMILES

CC(C)=CCC1=C(O)C(O)=CC(=C1)C2=COC3=CC(O)=C(CC=C(C)C)C(O)=C3C2=O

InChI

InChIKey=QNLGNISMYMFVHP-UHFFFAOYSA-N
InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-20(27)23(15)28)18-12-31-21-11-19(26)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C25H26O6
Molecular Weight 422.4703
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 Sat Dec 16 08:28:25 UTC 2023
Edited
by admin
on Sat Dec 16 08:28:25 UTC 2023
Record UNII
58NM254N9T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOANGUSTONE A
Common Name English
4H-1-BENZOPYRAN-4-ONE, 3-(3,4-DIHYDROXY-5-(3-METHYL-2-BUTEN-1-YL)PHENYL)-5,7-DIHYDROXY-6-(3-METHYL-2-BUTEN-1-YL)-
Systematic Name English
3-(3,4-DIHYDROXY-5-(3-METHYL-2-BUTEN-1-YL)PHENYL)-5,7-DIHYDROXY-6-(3-METHYL-2-BUTEN-1-YL)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 3-(3,4-DIHYDROXY-5-(3-METHYL-2-BUTENYL)PHENYL)-5,7-DIHYDROXY-6-(3-METHYL-2-BUTENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
58NM254N9T
Created by admin on Sat Dec 16 08:28:25 UTC 2023 , Edited by admin on Sat Dec 16 08:28:25 UTC 2023
PRIMARY
CAS
129280-34-8
Created by admin on Sat Dec 16 08:28:25 UTC 2023 , Edited by admin on Sat Dec 16 08:28:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID401317327
Created by admin on Sat Dec 16 08:28:25 UTC 2023 , Edited by admin on Sat Dec 16 08:28:25 UTC 2023
PRIMARY
PUBCHEM
21591148
Created by admin on Sat Dec 16 08:28:25 UTC 2023 , Edited by admin on Sat Dec 16 08:28:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT
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