(Q105257025)

English

(2S,3S,3aR)-2-(2H-1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one

chemical compound

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instance of

type of chemical entity

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subclass of

(3aR)-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one

1 reference

based on heuristic

inferred from SMILES

mass

340.13107374 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-Epi-3a-epiburchellin

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,3aS)-2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one

1 reference

based on heuristic

inferred from InChI

(2R)-2beta-(1,3-Benzodioxole-5-yl)-3beta-methyl-3a-allyl-5-methoxy-2,3,3abeta,6-tetrahydrobenzofuran-6-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₀O₅

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canonical SMILES

O=C1C=C2OC(C3=CC=C4OCOC4=C3)C(C)C2(C=C1OC)CC=C

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isomeric SMILES

C=CC[C@@]12C=C(OC)C(=O)C=C1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C

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found in taxon

Aniba burchellii

1 reference

stated in

Burchellin, a neolignan from Aniba burchellii

Piper kadsura

2 references

stated in

Anti-inflammatory neolignans from Piper kadsura

stated in

Anti-inflammatory neolignans from Piper kadsura

Aniba terminalis

1 reference

stated in

Neolignans from Aniba terminalis

Iryanthera ulei

1 reference

stated in

Diarylpropanes from Iryanthera ulei

Magnolia denudata

1 reference

stated in

Hydroperoxysesquiterpene and lignan constituents of Magnolia kobus

Piper hymenophyllum

1 reference

stated in

Benzofuranoid Neolignans from Piper wightii Miq..

Piper wightii

1 reference

stated in

Benzofuranoid Neolignans from Piper wightii Miq..

Iryanthera hostmannii

1 reference

stated in

Diarylpropanes from Iryanthera ulei

Magnolia liliiflora

1 reference

stated in

Four phenolic neolignans from Magnolia liliflora

Piper wallichii

1 reference

stated in

Neolignans and lignan from Piper wallichii

Mespilodaphne cymbarum

1 reference

stated in

Burchellin: study of bioactivity against Aedes aegypti

Identifiers

InChI

InChI=1S/C20H20O5/c1-4-7-20-10-17(22-3)14(21)9-18(20)25-19(12(20)2)13-5-6-15-16(8-13)24-11-23-15/h4-6,8-10,12,19H,1,7,11H2,2-3H3/t12-,19+,20+/m1/s1

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InChIKey

SOLJFAQVSWXZEQ-CFGAKRJMSA-N

0 references

CAS Registry Number

38276-59-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

132650

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H20O5/c1-4-7-20-10-17(22-3)14(21)9-18(20)25-19(12(20)2)13-5-6-15-16(8-13)24-11-23-15/h4-6,8-10,12,19H,1,7,11H2,2-3H3/t12-,19+,20+/m1/s1

(Q105257025)

(2S,3S,3aR)-2-(2H-1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one

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Identifiers

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