(Q104399909)

English

Boehmenan K

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-[2-(4-Hydroxy-3-methoxyphenyl)-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

680.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₃₆O₁₁

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canonical SMILES

O=C(OCC=CC=1C=C(OC)C=2OC(C3=CC=C(O)C(OC)=C3)C(C2C1)COC(=O)C=CC4=CC=C(O)C(OC)=C4)C=CC5=CC=C(O)C=C5

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@@H]2c3cc(/C=C/COC(=O)/C=C/c4ccc(O)cc4)cc(OC)c3O[C@H]2c2ccc(O)c(OC)c2)ccc1O

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found in taxon

Hibiscus cannabinus

2 references

stated in

Cytotoxic activity of lignans from Hibiscus cannabinus.

stated in

Phenolic constituents from the core of kenaf (Hibiscus cannabinus).

Hibiscus mutabilis

1 reference

stated in

Cytotoxic activity of lignans from Hibiscus cannabinus.

Identifiers

InChI

InChI=1S/C39H36O11/c1-45-33-20-25(8-14-31(33)41)10-17-37(44)49-23-30-29-19-26(5-4-18-48-36(43)16-9-24-6-12-28(40)13-7-24)21-35(47-3)39(29)50-38(30)27-11-15-32(42)34(22-27)46-2/h4-17,19-22,30,38,40-42H,18,23H2,1-3H3/b5-4+,16-9+,17-10+/t30-,38+/m1/s1

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InChIKey

RSPVKTUWOXRFIO-YMLDSBTCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RSPVKTUWOXRFIO-YMLDSBTCSA-N

1 reference

NMRShiftDB structure ID

10801

1 reference

matched by identifier from

InChIKey

RSPVKTUWOXRFIO-YMLDSBTCSA-N

(Q104399909)

Boehmenan K

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Identifiers

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