BIXIN

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H30O4
Molecular Weight	394.5033
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	9
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)\C=C\C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(O)=O

InChI

InChIKey=RAFGELQLHMBRHD-SLEZCNMESA-N

InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15-

HIDE SMILES / InChI

Molecular Formula	C25H30O4
Molecular Weight	394.5033
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	9
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Steroid hormone activity of flavonoids and related compounds.	2000 Jul	10989984
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:41:28 UTC 2023` Edited by `admin` on `Fri Dec 15 16:41:28 UTC 2023`
Record UNII	9L7T4VB66G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIXIN

Common Name

English

ANNATTO (E 160B)

Common Name

English

2,4,6,8,10,12,14,16,18-EICOSANONAENEDIOIC ACID, 4,8,13,17-TETRAMETHYL-, 1-METHYL ESTER, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-

Systematic Name

English

BIXINS CIS-FORM

Common Name

English

BIXIN [MART.]

Common Name

English

6,6'-DIAPO-.PSI.,.PSI.-CAROTENEDIOIC ACID, 6-METHYL ESTER, 9-CIS-

Systematic Name

English

2,4,6,8,10,12,14,16,18-EICOSANONAENEDIOIC ACID, 4,8,13,17-TETRAMETHYL-, MONOMETHYL ESTER, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-

Systematic Name

English

.ALPHA.-BIXIN

Common Name

English

BIXINS CIS-FORM [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m2582