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(+)-Acuminatin

(+)-Acuminatin structure

(+)-Acuminatin 

structure
  • CAS No:

    41744-39-2

  • Formula:

    C21H24O4

  • Chemical Name:

    (+)-Acuminatin

  • Synonyms:

    Benzofuran,2-(3,4-dimethoxyphenyl)-2,3-dihydro-7-methoxy-3-methyl-5-(1E)-1-propen-1-yl-,(2R,3R)-;Benzofuran,2-(3,4-dimethoxyphenyl)-2,3-dihydro-7-methoxy-3-methyl-5-(1-propenyl)-,[2R-[2α,3β,5(E)]]-;Benzofuran,2-(3,4-dimethoxyphenyl)-2,3-dihydro-7-methoxy-3-methyl-5-(1E)-1-propenyl-,(2R,3R)-;(2R,3R)-2-(3,4-Dimethoxyphenyl)-2,3-dihydro-7-methoxy-3-methyl-5-(1E)-1-propen-1-ylbenzofuran;Acuminatin;Acuminatin (Magnolia);(+)-Acuminatin

  • Categories:

    Natural Products  >  Lignans

Description

Acuminatin is a neolignan that is 5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran carrying additional 3,4-dimethoxyphenyl, methyl and methoxy substituents at positions 2, 3 and 7 respectively. It has a role as a plant metabolite and a fungal metabolite. It is a member of 1-benzofurans, a dimethoxybenzene, a ring assembly, an olefinic compound and a neolignan.

(+)-Acuminatin Basic Attributes

340.41286

340.41

JA2WFP75V2

Characteristics

36.9

4.7

1.109±0.06 g/cm3(Predicted)

Drug Information

acuminatin

Computed Properties

Molecular Weight:340.4
XLogP3:4.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:340.16745924
Monoisotopic Mass:340.16745924
Topological Polar Surface Area:36.9
Heavy Atom Count:25
Complexity:451
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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