(Q105252563)

English

(-)-Simulanol

chemical compound

In more languages

Statements

type of chemical entity

0 references

4-[3-(Hydroxymethyl)-5-(3-hydroxyprop-1-enyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenol

1 reference

based on heuristic

inferred from SMILES

388.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxyprop-1-enyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenol

1 reference

based on heuristic

inferred from InChI

4-[(2R,3R)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenol

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄O₇

0 references

canonical SMILES

OC1=C(OC)C=C(C=C1OC)C2OC3=C(OC)C=C(C=CCO)C=C3C2CO

0 references

isomeric SMILES

COc1cc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2CO)cc(OC)c1O

0 references

Zanthoxylum integrifoliolum

3 references

New phenylpropenoids, bis(1-phenylethyl)phenols, bisquinolinone alkaloid, and anti-inflammatory constituents from Zanthoxylum integrifoliolum

New phenylpropenoids, bis(1-phenylethyl)phenols, bisquinolinone alkaloid, and anti-inflammatory constituents from Zanthoxylum integrifoliolum

New phenylpropenoids, bis(1-phenylethyl)phenols, bisquinolinone alkaloid, and anti-inflammatory constituents from Zanthoxylum integrifoliolum

Zanthoxylum simulans

1 reference

Chemical and anti-platelet constituents from Formosan Zanthoxylum simulans.

Euonymus alatus

1 reference

Inhibition of nitric oxide production in lipopolysaccharide-stimulated RAW264.7 macrophage cells by lignans isolated from Euonymus alatus leaves and twigs

Identifiers

InChI=1S/C21H24O7/c1-25-16-9-13(10-17(26-2)19(16)24)20-15(11-23)14-7-12(5-4-6-22)8-18(27-3)21(14)28-20/h4-5,7-10,15,20,22-24H,6,11H2,1-3H3/b5-4+/t15-,20+/m1/s1

0 references

SGRRPSBKBJVKJE-SQBHOSFOSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

SGRRPSBKBJVKJE-SQBHOSFOSA-N

UniChem compound ID

1 reference

NMRShiftDB structure ID

1 reference

matched by identifier from

SGRRPSBKBJVKJE-SQBHOSFOSA-N

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