PANDURATIN A

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H30O4
Molecular Weight	406.514
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(O)=C(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2C3=CC=CC=C3)C(O)=C1

InChI

InChIKey=LYDZCXVWCFJAKQ-ZFGGDYGUSA-N

InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H30O4
Molecular Weight	406.514
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Induction of apoptosis and cell cycle arrest by a chalcone panduratin A isolated from Kaempferia pandurata in androgen-independent human prostate cancer cells PC3 and DU145.	2006-07	16497706
Anti-HIV-1 protease activity of compounds from Boesenbergia pandurata.	2006-03-15	16263298

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:52:39 GMT 2025` Edited by `admin` on `Wed Apr 02 18:52:39 GMT 2025`
Record UNII	27N2BIM2CR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PANOID

Preferred Name

English

PANDURATIN A

Official Name

English

METHANONE, (2,6-DIHYDROXY-4-METHOXYPHENYL)((1R,2S,6R)-3-METHYL-2-(3-METHYL-2-BUTENYL)-6-PHENYL-3-CYCLOHEXEN-1-YL)-, REL-

Common Name

English

METHANONE, (2,6-DIHYDROXY-4-METHOXYPHENYL)((1R,2S,6R)-3-METHYL-2-(3-METHYL-2-BUTEN-1-YL)-6-PHENYL-3-CYCLOHEXEN-1-YL)-, REL-

Common Name

English

METHANONE, (2,6-DIHYDROXY-4-METHOXYPHENYL)(3-METHYL-2-(3-METHYL-2-BUTENYL)-6-PHENYL-3-CYCLOHEXEN-1-YL)-, (1.ALPHA.,2.ALPHA.,6.BETA.)-

Common Name

English

(±)-PANDURATIN A

Common Name

English

METHANONE, (2,6-DIHYDROXY-4-METHOXYPHENYL)(3-METHYL-2-(3-METHYL-2-BUTENYL)-6-PHENYL-3-CYCLOHEXEN-1-YL)-, (1.ALPHA.,2.ALPHA.,6.BETA.)-(±)-

Common Name

English

Code System Code Type Description

FDA UNII

27N2BIM2CR