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Deguelin

Deguelin structure

CAS No:
522-17-8
Formula:
C23H22O6
Chemical Name:
Deguelin
Synonyms:
3H-Bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7(7aH)-one,13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-,(7aS,13aS)-;Deguelin;3H-Bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7(7aH)-one,13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-;3H-Bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7(7aH)-one,13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-,(7aS-cis)-;(7aS,13aS)-13,13a-Dihydro-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7(7aH)-one;(-)-cis-Deguelin;(-)-Deguelin;22030-11-1
Categories:
Natural Products > Flavonoids

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Description

Deguelin is a natural product isolated from plants in the Mundulea sericea family, and acts as an AKT inhibitor.

Deguelin is a member of isoflavanones.

Deguelin Basic Attributes

Molecular Weight：

394.42

Exact Mass：

394.42

UNII：

K5Z93K66IE

DSSTox ID：

DTXSID10200231

HScode：

29329990

Characteristics

PSA：

63.2

XLogP3：

3.7

Appearance：

white to yellow solid

Density：

1.3±0.1 g/cm3

Melting Point：

171 °C

Boiling Point：

560.1°C at 760 mmHg

Flash Point：

244.7±30.2 °C

Refractive Index：

1.584

Water Solubility：

DMSO: >10 mg/mL

Storage Conditions：

−20°C

Specific rotation：

D27 -97.2° (c = 0.2 in benzene)

Collision Cross Section：

194.2 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

DX1500000

Drug Information

MeSH Entry Terms：

13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-3H-bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one

Deguelin Use and Manufacturing

Uses

Deguelin exhibits potent apoptotic and antiangiogenic activities in a variety of transformed cells and cancer cells.Deguelin also exhibits potent tumor suppressive effects in xenograft tumor models for many human cancers.

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Rotenoid flavonoids [PK1206]

Computed Properties

Molecular Weight:394.4
XLogP3:3.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:394.14163842
Monoisotopic Mass:394.14163842
Topological Polar Surface Area:63.2
Heavy Atom Count:29
Complexity:674
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 522-17-8

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CAS No.: 522-17-8

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Guide of Deguelin

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

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