(Q105349243)

English

5,8,8abeta,9-Tetrahydro-9beta-hydroxy-5alpha-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

arylnaphthalene-type lignan

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mass

414.131467664 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

1 reference

1 reference

5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₂O₈

0 references

canonical SMILES

O=C1OCC2C(O)C3=CC=4OCOC4C=C3C(C5=CC(OC)=C(OC)C(OC)=C5)C12

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isomeric SMILES

COc1cc([C@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC

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found in taxon

Micranthemum umbrosum

1 reference

stated in

Structure-activity relationship of chemical defenses from the freshwater plant Micranthemum umbrosum.

Podophyllum hexandrum

1 reference

stated in

Aryltetralin lignans from Podophyllum hexandrum and Podophyllum peltatum

Carica papaya

1 reference

stated in

HPLC-based activity profiling for antiplasmodial compounds in the traditional Indonesian medicinal plant Carica papaya L.

Identifiers

InChI

InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18-,19-,20-/m0/s1

0 references

InChIKey

YJGVMLPVUAXIQN-KJYZGMDISA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

YJGVMLPVUAXIQN-KJYZGMDISA-N

1 reference

(Q105349243)

5,8,8abeta,9-Tetrahydro-9beta-hydroxy-5alpha-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one

Statements

Identifiers

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