TETRAHYDROCURCUMIN .BETA.-O-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H32O12
Molecular Weight	548.5358
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TETRAHYDROCURCUMIN .BETA.-O-GLUCURONIDE

Structure Search

SMILES

COC1=CC(CC\C(O)=C\C(=O)CCC2=CC(OC)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)=CC=C1O

InChI

InChIKey=NJXVQZJOUDIWTN-DPYRWGAKSA-N

InChI=1S/C27H32O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h5-6,9-13,22-25,27-28,30-33H,3-4,7-8H2,1-2H3,(H,34,35)/b16-13-/t22-,23-,24+,25-,27+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

TETRAHYDROCURCUMIN .BETA.-O-GLUCURONIDE

Common Name

English

TETRAHYDROCURCUMIN MONOGLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(7-(4-HYDROXY-3-METHOXYPHENYL)-3,5-DIOXOHEPTYL)-2-METHOXYPHENYL

Common Name

English

TETRAHYDROCURCUMIN GLUCURONOSIDE

Common Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(4-((Z)-5-HYDROXY-7-(4-HYDROXY-3-METHOXYPHENYL)-3-OXOHEPT-4-EN-1-YL)-2-METHOXYPHENOXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID901025749

Created by admin on Sat Dec 16 08:44:57 GMT 2023 , Edited by admin on Sat Dec 16 08:44:57 GMT 2023

PRIMARY

FDA UNII

FA26VP94XR

Created by admin on Sat Dec 16 08:44:57 GMT 2023 , Edited by admin on Sat Dec 16 08:44:57 GMT 2023

PRIMARY

CAS

227466-74-2

Created by admin on Sat Dec 16 08:44:57 GMT 2023 , Edited by admin on Sat Dec 16 08:44:57 GMT 2023

PRIMARY

PARENT (METABOLITE)


					IT942ZTH98

CURCUMIN

SUBSTANCE RECORD


					FA26VP94XR

TETRAHYDROCURCUMIN .BETA.-O-GLUCURONIDE