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Gancaonin I

Gancaonin I structure

CAS No:
126716-36-7
Formula:
C21H22O5
Chemical Name:
Gancaonin I
Synonyms:
1,3-Benzenediol,4-[4,6-dimethoxy-5-(3-methyl-2-buten-1-yl)-2-benzofuranyl]-;1,3-Benzenediol,4-[4,6-dimethoxy-5-(3-methyl-2-butenyl)-2-benzofuranyl]-;4-[4,6-Dimethoxy-5-(3-methyl-2-buten-1-yl)-2-benzofuranyl]-1,3-benzenediol;Gancaonin I
Categories:
Natural Products > Phenols

Description

Solid

Gancaonin I is a member of the class of 1-benzofurans which consists of 1-benzofuran substituted by methoxy groups at positions 4 and 6, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis. It has a role as an antibacterial agent and a plant metabolite. It is a member of 1-benzofurans, an aromatic ether and a member of resorcinols. It derives from a hydride of a 1-benzofuran.

Gancaonin I Basic Attributes

Molecular Weight：

354.39638

Exact Mass：

354.40

DSSTox ID：

DTXSID90155275

Characteristics

PSA：

72.1

XLogP3：

5.1

Density：

1.212±0.06 g/cm3(Predicted)

Melting Point：

125 - 127 °C

Boiling Point：

534.2±45.0 °C(Predicted)

Flash Point：

276.9ºC

Refractive Index：

1.61

Water Solubility：

0.2206 mg/L @ 25 °C (est)

Vapor Pressure：

5.02E-12mmHg at 25°C

Gancaonin I Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Other Flavonoids [PK1216]

Computed Properties

Molecular Weight:354.4
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:354.14672380
Monoisotopic Mass:354.14672380
Topological Polar Surface Area:72.1
Heavy Atom Count:26
Complexity:489
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 126716-36-7

Grade: Industrial Grade

Content: 99%

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