CYANIDIN 3-O-SAMBUBIOSIDE CHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H29O15.Cl
Molecular Weight	616.952
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CYANIDIN 3-O-SAMBUBIOSIDE CHLORIDE

Structure Search

SMILES

[Cl-].[H][C@@]5(O[C@H]1[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C4=CC(O)=C(O)C=C4)O[C@H](CO)[C@@H](O)[C@@H]1O)OC[C@@H](O)[C@H](O)[C@H]5O

InChI

InChIKey=BWHXEGJOYVNGQH-XOBUMVIESA-N

InChI=1S/C26H28O15.ClH/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9;/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31);1H/t15-,18-,19+,20-,21+,22-,24-,25+,26-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C26H28O15
Molecular Weight	580.4915
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Angiotensin-converting enzyme 97 Target ID: CHEMBL1808 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19808084	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:34:37 UTC 2023` Edited by `admin` on `Sat Dec 16 07:34:37 UTC 2023`
Record UNII	4BIT5WSL15
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYANIDIN 3-O-SAMBUBIOSIDE CHLORIDE

Common Name

English

FLAVYLIUM, 4',5,5',7-TETRAHYDROXY-3-((2-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE

Systematic Name

English

CYANIDIN 3-SAMBUBIOSIDE

Common Name

English

CYANIDINE 3-SAMBUBIOSIDE

Common Name

English

1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-((2-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-, CHLORIDE (1:1)

Systematic Name

English

SAMBICYANIN

Common Name

English

CYANIDIN 3-XYLOGLUCOSIDE

Common Name

English

CYANIDIN 3-O-(2-O-.BETA.-XYLOPYRANOSYL)-.BETA.-GLUCOPYRANOSIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30954628