Hypaconitine

(3S,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,13R,14R)-11a-acetoxy-9,11-dihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyltetradecahydro-1H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate

Formula: C33H45NO10 (615.3043)
Chinese Name: 次乌头碱, 海帕乌头碱, 下乌头碱, 高乌头碱, 次乌碱
BioDeep ID: BioDeep_00000000388 ( View LC/MS Profile)
SMILES: CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CCC7(C5C(C2C6N(C7)C)OC)COC)OC

Found 1 Sample Hits

m/z Adducts Species Organ Scanning Sample

m/z	Adducts	Species	Organ	Scanning	Sample
580.2881	[M+H-2H2O]+ `PPM:4.1`	Vitis vinifera	Fruit	MALDI (DHB)	grape_dhb_163_1 - Grape Database Resolution: 17μm, 132x115 Description Grape berries fruit, condition: Late

580.2881

[M+H-2H2O]+
PPM:4.1

Vitis vinifera

Fruit

MALDI (DHB)

grape_dhb_163_1 - Grape Database

Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

Hypaconitine is a diterpenoid. Hypaconitine is a natural product found in Aconitum japonicum, Aconitum firmum, and other organisms with data available. Annotation level-1 Hypaconitine, an active and highly toxic constituent derived from Aconitum species, is widely used to treat rheumatism. IC50 value: Target: In vitro: The present study investigated the metabolism of hypaconitine in vitro using male human liver microsomes. The primary contributors toward HA metabolism were CYP3A4 and 3A5, with secondary contributions by CYP2C19, 2D6 and CYP2E1 [1]. In vivo: Hypaconitine, an active and highly toxic constituent derived from Aconitum species, is widely used to treat rheumatism. IC50 value: Target: In vitro: The present study investigated the metabolism of hypaconitine in vitro using male human liver microsomes. The primary contributors toward HA metabolism were CYP3A4 and 3A5, with secondary contributions by CYP2C19, 2D6 and CYP2E1 [1]. In vivo: