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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22O6
Molecular Weight 370.3958
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ANGELYLALKANNIN

SMILES

C\C=C(\C)C(=O)O[C@@H](CC=C(C)C)C1=CC(=O)C2=C(C(O)=CC=C2O)C1=O

InChI

InChIKey=ZGQONWTUIANWFM-AVHYGJPMSA-N
InChI=1S/C21H22O6/c1-5-12(4)21(26)27-17(9-6-11(2)3)13-10-16(24)18-14(22)7-8-15(23)19(18)20(13)25/h5-8,10,17,22-23H,9H2,1-4H3/b12-5-/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22O6
Molecular Weight 370.3958
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:13:27 GMT 2023
Edited
by admin
on Fri Dec 15 20:13:27 GMT 2023
Record UNII
AD71CY9O13
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANGELYLALKANNIN
Common Name English
2-BUTENOIC ACID, 2-METHYL-, (1S)-1-(1,4-DIHYDRO-5,8-DIHYDROXY-1,4-DIOXO-2-NAPHTHALENYL)-4-METHYL-3-PENTEN-1-YL ESTER, (2Z)-
Common Name English
ALKANNIN ANGELATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90219220
Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023
PRIMARY
CAS
69175-72-0
Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023
PRIMARY
FDA UNII
AD71CY9O13
Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023
PRIMARY
PUBCHEM
71587240
Created by admin on Fri Dec 15 20:13:27 GMT 2023 , Edited by admin on Fri Dec 15 20:13:27 GMT 2023
PRIMARY