2,3-Dehydrosilybin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H20O10
Molecular Weight	480.4203
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C=CC(=C1)[C@H]2OC3=C(O[C@@H]2CO)C=CC(=C3)C4=C(O)C(=O)C5=C(O4)C=C(O)C=C5O

InChI

InChIKey=BVKQRAYKLBRNIK-HYBUGGRVSA-N

InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-29,31H,10H2,1H3/t20-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H20O10
Molecular Weight	480.4203
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:02:49 GMT 2025` Edited by `admin` on `Wed Apr 02 08:02:49 GMT 2025`
Record UNII	YT9LPK42UU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,3-Dehydrosilybin

Common Name

English

2-((2R,3R)-2-(Hydroxymethyl)-3-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-3,5,7-tris(oxidanyl)chromen-4-one

Preferred Name

English

4H-1-Benzopyran-4-one, 2-[(2R,3R)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-3,5,7-trihydroxy-

Systematic Name

English

2-[(2R,3R)-2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one

Systematic Name

English

Code System Code Type Description

FDA UNII

YT9LPK42UU

Created by admin on Wed Apr 02 08:02:49 GMT 2025 , Edited by admin on Wed Apr 02 08:02:49 GMT 2025

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EPA CompTox

DTXSID60858706

Created by admin on Wed Apr 02 08:02:49 GMT 2025 , Edited by admin on Wed Apr 02 08:02:49 GMT 2025

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CAS

25166-14-7

Created by admin on Wed Apr 02 08:02:49 GMT 2025 , Edited by admin on Wed Apr 02 08:02:49 GMT 2025

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PUBCHEM

10696082

Created by admin on Wed Apr 02 08:02:49 GMT 2025 , Edited by admin on Wed Apr 02 08:02:49 GMT 2025

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