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
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524
Steroid hormone activity of flavonoids and related compounds.	2000-07	10989984

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:34:36 GMT 2025` Edited by `admin` on `Mon Mar 31 18:34:36 GMT 2025`
Record UNII	9L7T4VB66G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIXINS CIS-FORM

Preferred Name

English

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

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