CYNARINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H24O12
Molecular Weight	516.4509
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@H]1O)(OC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)=O

InChI

InChIKey=YDDUMTOHNYZQPO-RVXRWRFUSA-N

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H24O12
Molecular Weight	516.4509
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:20:48 UTC 2023` Edited by `admin` on `Fri Dec 15 16:20:48 UTC 2023`
Record UNII	85D81U9JAV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYNARINE

Official Name

English

PLEMOCIL

Brand Name

English

1-CARBOXY-4,5-DIHYDROXY-1,3-CYCLOHEXYLENEBIS-(3,4-DIHYDROXYCINNAMATE)

Common Name

English

cynarine [INN]

Common Name

English

CYNARINE [MI]

Common Name

English

(1R-(1.ALPHA.,3.ALPHA.,4.ALPHA.,5.BETA.))-1,3-BIS((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-4,5-DIHYDROXYCYCLOHEXANECARBOXYLIC ACID

Common Name

English

CYCLOHEXANECARBOXYLIC ACID, 1,3-BIS(((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-4,5-DIHYDROXY-, (1R,3R,4S,5R)-

Systematic Name

English

CYNARINE [MART.]

Common Name

English

3,4-DIHYDROXYCINNAMIC ACID 1-CARBOXY-4,5-DIHYDROXY-1,3-CYCLOHEXYLENE ESTER

Common Name

English

1,3-DICQA

Common Name

English

1,3-DICAFFEOYLQUINIC ACID (CONSTITUENT OF ECHINACEA ANGUSTIFOLIA ROOT, ECHINACEA PALLIDA ROOT, ECHINACEA PURPUREA ROOT AND ECHINACEA PURPUREA AERIAL PARTS) [DSC]

Common Name

English

3,4-DIHYDROXYCINNAMIC ACID, 1-CARBOXY-4,5-DIHYDROXY-1,3-CYCLOHEXYLENE ESTER

Common Name

English

LISTROCOL

Brand Name

English

1,3-DICAFFEOYLQUINIC ACID

Common Name

English

Cynarine [WHO-DD]

Common Name

English

(1R,3R,4S,5R)-1,3-BIS((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-4,5-DIHYDROXYCYCLOHEXANECARBOXYLIC ACID

Systematic Name

English

CAFFEIC ACID 1-CARBOXY-4,5-DIHYDROXY-1,3-CYCLOHEXYLENE ESTER

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66913