U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22O12
Molecular Weight 478.4029
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEPITRIN

SMILES

COC1=C(O)C2=C(OC(=CC2=O)C3=CC=C(O)C(O)=C3)C=C1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

InChI

InChIKey=DMXHXBGUNHLMQO-IWLDQSELSA-N
InChI=1S/C22H22O12/c1-31-21-14(33-22-20(30)19(29)17(27)15(7-23)34-22)6-13-16(18(21)28)11(26)5-12(32-13)8-2-3-9(24)10(25)4-8/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NEPITRIN
Common Name English
6-METHOXYLUTEOLIN 7-GLUCOSIDE
Common Name English
NEPETRIN
Common Name English
2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-6-METHOXY-4-OXO-4H-CHROMEN-7-YL .BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
J16.151I
Code English
NEPETIN 7-O-.BETA.-D-GLUCOSIDE
Common Name English
NEPETIN 7-O-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
NEPETIN 7-O-GLUCOSIDE
Common Name English
3',4',5-TRIHYDROXY-6-METHOXY-7-(GLUCOSYLOXY)FLAVONE
Systematic Name English
EUPAFOLIN 7-O-.BETA.-GLUCOSIDE
Common Name English
EUPAFOLIN 7-O-.BETA.-D-GLUCOPYRANOSIDE
Common Name English
6-METHOXYLUTEOLIN 7-O-GLUCOSIDE
Common Name English
5-HYDROXY-6-METHOXY-2-(3,4-DIHYDROXYPHENYL)-7-(.BETA.-D-GLUCOPYRANOSYLOXY)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
FLAVONE, 3',4',5,7-TETRAHYDROXY-6-METHOXY-, 7-.BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-6-METHOXY-7-(((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY)CHROMEN-4-ONE
Systematic Name English
EUPAFOLIN 7-.BETA.-GLUCOSIDE
Common Name English
4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-6-METHOXY-
Systematic Name English
2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-6-METHOXY-7-(((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY)-4H-CHROMEN-4-ONE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-7-(BETA-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-6-METHOXY-
Systematic Name English
Code System Code Type Description
CAS
27923-79-1
Created by admin on Sat Dec 16 08:39:48 GMT 2023 , Edited by admin on Sat Dec 16 08:39:48 GMT 2023
SUPERSEDED
EPA CompTox
DTXSID00972339
Created by admin on Sat Dec 16 08:39:48 GMT 2023 , Edited by admin on Sat Dec 16 08:39:48 GMT 2023
PRIMARY
PUBCHEM
120742
Created by admin on Sat Dec 16 08:39:48 GMT 2023 , Edited by admin on Sat Dec 16 08:39:48 GMT 2023
PRIMARY
FDA UNII
S9ZMJ20NUO
Created by admin on Sat Dec 16 08:39:48 GMT 2023 , Edited by admin on Sat Dec 16 08:39:48 GMT 2023
PRIMARY
CAS
569-90-4
Created by admin on Sat Dec 16 08:39:48 GMT 2023 , Edited by admin on Sat Dec 16 08:39:48 GMT 2023
PRIMARY