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Isobavachalcone

Isobavachalcone structure

CAS No:
20784-50-3
Formula:
C20H20O4
Chemical Name:
Isobavachalcone
Synonyms:
2-Propen-1-one,1-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-,(2E)-;Chalcone,2′,4,4′-trihydroxy-3′-(3-methyl-2-butenyl)-;2-Propen-1-one,1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-,(E)-;2-Propen-1-one,1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-,(2E)-;(2E)-1-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one;Isobavachalcone;Corylifolinin;Isobacachalcone;4-Hydroxyisocordoin
Categories:
Natural Products > Chalcones

Description

Isobavachalcone(Corylifolinin) is a chalcone constituent of Angelica keiskei, induces apoptosis in neuroblastoma.IC50 value:Target: Isobavachalcone inhibits platelet aggregation. Inhibitor of Epstein-Barr virus early antigen (EBV-EA) induction. Isobavachalcone exhibits potent inhibitory effect on skin tumor promotion. Potent inhibitor of MMP-2. Displays DNA strand-scission (cleaving) activity. Isobavachalcone hows antifungal activity.

Isobavachalcone is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4' and a prenyl group at position 3'. It has a role as an antibacterial agent, a platelet aggregation inhibitor and a metabolite. It is a polyphenol and a member of chalcones. It derives from a trans-chalcone.

Isobavachalcone Basic Attributes

Molecular Weight：

324.37

Exact Mass：

324.37

UNII：

ZWO2SC993A

Characteristics

PSA：

77.8

XLogP3：

5.1

Density：

1.2±0.1 g/cm3

Melting Point：

156.8-157.8 °C @ Solvent: Ethyl acetate, Hexane

Boiling Point：

549°C at 760 mmHg

Flash Point：

299.9±26.6 °C

Refractive Index：

1.658

Vapor Pressure：

1.15E-12mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

Drug Information

MeSH Entry Terms：

isobavachalcone

Isobavachalcone Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]

Computed Properties

Molecular Weight:324.4
XLogP3:5.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:324.13615911
Monoisotopic Mass:324.13615911
Topological Polar Surface Area:77.8
Heavy Atom Count:24
Complexity:470
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 20784-50-3

Grade: industrial Grade

Content: 98%

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Guide of Isobavachalcone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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