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Home > Encyclopedia > 4-[3-(1,3-Benzodioxol-5-ylmethyl)-2-methylene-3-buten-1-yl]-1,3-benzenediol

4-[3-(1,3-Benzodioxol-5-ylmethyl)-2-methylene-3-buten-1-yl]-1,3-benzenediol

4-[3-(1,3-Benzodioxol-5-ylmethyl)-2-methylene-3-buten-1-yl]-1,3-benzenediol structure

4-[3-(1,3-Benzodioxol-5-ylmethyl)-2-methylene-3-buten-1-yl]-1,3-benzenediol 

structure
  • CAS No:

    158081-97-1

  • Formula:

    C19H18O4

  • Chemical Name:

    4-[3-(1,3-Benzodioxol-5-ylmethyl)-2-methylene-3-buten-1-yl]-1,3-benzenediol

  • Synonyms:

    1,3-Benzenediol,4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylene-3-buten-1-yl]-;1,3-Benzenediol,4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylene-3-butenyl]-;4-[3-(1,3-Benzodioxol-5-ylmethyl)-2-methylene-3-buten-1-yl]-1,3-benzenediol;Anolignan A;NSC 665937

Description

ChEBI: A lignan that consists of buta-1,3-diene substituted by a 2,4-dihydroxybenzyl group at position 2 and a 1,3-benzodioxol-5-ylmethyl group at position 3. It is isolated from the ground stems of Anogeissus acuminata and exhibits anti-HIV activity by inhibiting HIV-1 reverse transcriptase enzyme.


Anolignan A is a lignan that consists of buta-1,3-diene substituted by a 2,4-dihydroxybenzyl group at position 2 and a 1,3-benzodioxol-5-ylmethyl group at position 3. It is isolated from the ground stems of Anogeissus acuminata and exhibits anti-HIV activity by inhibiting HIV-1 reverse transcriptase enzyme. It has a role as a metabolite and a HIV-1 reverse transcriptase inhibitor. It is a lignan, a member of benzodioxoles and a member of resorcinols.

4-[3-(1,3-Benzodioxol-5-ylmethyl)-2-methylene-3-buten-1-yl]-1,3-benzenediol Basic Attributes

310.347

310.34

F7IFG6J8RN

665937

DTXSID60166373

Characteristics

58.9

5.3

1.257±0.06 g/cm3(Predicted)

513.1±45.0 °C(Predicted)

Drug Information

2-(2',4'-dihydroxybenzyl)-3-(3'',4''-methylenedioxybenzyl)-1,3-butadiene

Computed Properties

Molecular Weight:310.3
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:310.12050905
Monoisotopic Mass:310.12050905
Topological Polar Surface Area:58.9
Heavy Atom Count:23
Complexity:447
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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