(Q105377779)

English

(2S,3R,3aS,7aR)-2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one

1 reference

based on heuristic

inferred from SMILES

374.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆O₆

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canonical SMILES

O=C1C(=CC2(OC)C(C)C(OC2(OC)C1)C3=CC=C(O)C(OC)=C3)CC=C

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isomeric SMILES

C=CCC1=C[C@]2(OC)[C@H](C)[C@@H](c3ccc(O)c(OC)c3)O[C@]2(OC)CC1=O

0 references

2 references

Anti-inflammatory neolignans from Piper kadsura

Anti-inflammatory neolignans from Piper kadsura

Magnolia liliiflora

1 reference

Four phenolic neolignans from Magnolia liliflora

Identifiers

InChI=1S/C21H26O6/c1-6-7-15-11-20(25-4)13(2)19(27-21(20,26-5)12-17(15)23)14-8-9-16(22)18(10-14)24-3/h6,8-11,13,19,22H,1,7,12H2,2-5H3/t13-,19+,20+,21-/m1/s1

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ZJCOLWRTVHBIBE-MZNUGIIHSA-N

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2 references

26 December 2021

matched by identifier from

ZJCOLWRTVHBIBE-MZNUGIIHSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C21H26O6/c1-6-7-15-11-20(25-4)13(2)19(27-21(20,26-5)12-17(15)23)14-8-9-16(22)18(10-14)24-3/h6,8-11,13,19,22H,1,7,12H2,2-5H3/t13-,19+,20+,21-/m1/s1

UniChem compound ID

1 reference

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