Visnagin
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Visnagin
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CAS No:
82-57-5
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Formula:
C13H10O4
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Chemical Name:
Visnagin
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Synonyms:
5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl-;Visnagin;4-Methoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one;Desmethoxykhellin;5-Methoxy-2-methyl-6,7-furanochrome;5-Methoxy-2-methylfuranochromone;Visnagidin;Visnagine;NSC 100593
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CAS No:
Description
BEIGE FINE CRYSTALLINE POWDER
Visnagin is a furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. It has a role as a phytotoxin, an EC 1.1.1.37 (malate dehydrogenase) inhibitor, a vasodilator agent, an antihypertensive agent, an anti-inflammatory agent and a plant metabolite. It is a furanochromone, an aromatic ether and a polyketide. It derives from a 5H-furo[3,2-g]chromen-5-one.
Characteristics
48.7
2.26
Beige Fine Crystalline Powder
1.3±0.1 g/cm3
144.5 °C
378.2±42.0 °C at 760 mmHg
182.5±27.9 °C
1.613
139.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
22
S3
LV1420000
Xn
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.
Visnagin Use and Manufacturing
antiinflammatory, neuroprotective
Polyketides [PK] -> Aromatic polyketides [PK13] -> Benzopyranoids [PK1311]
Computed Properties
Molecular Weight:230.22
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:230.05790880
Monoisotopic Mass:230.05790880
Topological Polar Surface Area:48.7
Heavy Atom Count:17
Complexity:362
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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