(Q105248433)

English

[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

flavone

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mass

738.194855768 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₃₄O₁₄

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canonical SMILES

O=C(OCC1OC(OC=2C=C(O)C=3C(=O)C=C(OC3C2)C=4C=CC(O)=C(OC)C4)C(O)C(OC(=O)C=CC5=CC=C(O)C=C5)C1O)C=CC=6C=CC=CC6

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isomeric SMILES

COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccccc5)[C@@H](O)[C@H](OC(=O)/C=C/c5ccc(O)cc5)[C@H]4O)cc3o2)ccc1O

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found in taxon

Marrubium velutinum

1 reference

stated in

Identification of tyrosinase inhibitors from Marrubium velutinum and Marrubium cylleneum

Identifiers

InChI

InChI=1S/C40H34O14/c1-49-31-17-24(11-14-27(31)42)30-20-29(44)36-28(43)18-26(19-32(36)52-30)51-40-38(48)39(54-35(46)16-10-23-7-12-25(41)13-8-23)37(47)33(53-40)21-50-34(45)15-9-22-5-3-2-4-6-22/h2-20,33,37-43,47-48H,21H2,1H3/b15-9+,16-10+/t33-,37-,38-,39+,40-/m1/s1

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InChIKey

RZLBGVNPBMPJNW-KXNNMBPQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RZLBGVNPBMPJNW-KXNNMBPQSA-N

1 reference

(Q105248433)

[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate

Statements

Identifiers

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