ASTILBIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22O11
Molecular Weight	450.3928
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](OC3=C(C2=O)C(O)=CC(O)=C3)C4=CC(O)=C(O)C=C4)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=ZROGCCBNZBKLEL-XEXNSLJOSA-N

InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H22O11
Molecular Weight	450.3928
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
TNF-alpha 17 Target ID: CHEMBL1825 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20587320 \| https://onlinelibrary.wiley.com/doi/abs/10.1211/0022357023033	Inhibitor 8504

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:53:35 GMT 2025` Edited by `admin` on `Wed Apr 02 09:53:35 GMT 2025`
Record UNII	KA92CW3M68
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-245342

Preferred Name

English

ASTILBIN

Common Name

English

NEOISOASTILBIN

Common Name

English

(2S,3R)-ASTILBIN

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-5,7-DIHYDROXY-, (2S,3R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10114809